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CID 21686480

PubChem CID
21686480
Structure
CID 21686480_small.png
Molecular Formula
Status
Non-live
Molecular Weight
250.77 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 21686480.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(1-methylpyrrolidin-2-yl)methyl]indole;hydrochloride

2.1.2 InChI

InChI=1S/C14H18N2.ClH/c1-15-9-4-6-13(15)11-16-10-8-12-5-2-3-7-14(12)16;/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3;1H

2.1.3 InChIKey

REWPWFUHLSKVBL-UHFFFAOYSA-N

2.1.4 SMILES

CN1CCCC1CN2C=CC3=CC=CC=C32.Cl

2.2 Molecular Formula

C14H19ClN2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
250.77 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
250.1236763 g/mol
Property Name
Monoisotopic Mass
Property Value
250.1236763 g/mol
Property Name
Topological Polar Surface Area
Property Value
8.2 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
241
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS