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CID 40201525

PubChem CID
40201525
Structure
CID 40201525_small.png
Molecular Formula
Status
Non-live
Molecular Weight
246.30 g/mol
Dates
  • Create:
    2009-05-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 40201525.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]acetamide

2.1.2 InChI

InChI=1S/C14H18N2O2/c1-10-9-12-5-3-4-6-13(12)16(10)14(18)7-8-15-11(2)17/h3-6,10H,7-9H2,1-2H3,(H,15,17)/t10-/m1/s1

2.1.3 InChIKey

GDAWNWRMENPDCC-SNVBAGLBSA-N

2.1.4 SMILES

C[C@@H]1CC2=CC=CC=C2N1C(=O)CCNC(=O)C

2.2 Molecular Formula

C14H18N2O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
246.30 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
246.136827821 g/mol
Property Name
Monoisotopic Mass
Property Value
246.136827821 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
330
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS