CID 17950439
PubChem CID
17950439
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.18 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
1H-indol-6-yl(pyrrolidin-1-yl)methanone;dihydrochloride
InChI=1S/C13H14N2O.2ClH/c16-13(15-7-1-2-8-15)11-4-3-10-5-6-14-12(10)9-11;;/h3-6,9,14H,1-2,7-8H2;2*1H
QHTGBMUCSTZUCJ-UHFFFAOYSA-N
C1CCN(C1)C(=O)C2=CC3=C(C=C2)C=CN3.Cl.Cl
C13H16Cl2N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.18 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
286.0639685 g/mol
Property Name
Monoisotopic Mass
Property Value
286.0639685 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.1 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
273
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
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS