3-(aminomethyl)indol-2-one;hydrochloride

C9H9ClN2O — CID 156702017

IUPAC3-(aminomethyl)indol-2-one;hydrochloride
SMILESCl.NCC1=c2ccccc2=NC1=O
InChIInChI=1S/C9H8N2O.ClH/c10-5-7-6-3-1-2-4-8(6)11-9(7)12;/h1-4H,5,10H2;1H
InChIKeySSUJGVGHBRRCAK-UHFFFAOYSA-N
MW196.64 g/mol
LogP-0.62
Rot. Bonds1

About 3-(aminomethyl)indol-2-one;hydrochloride

3-(aminomethyl)indol-2-one;hydrochloride (PubChem CID 156702017) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 3-(aminomethyl)indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)indol-2-one;hydrochloride
PubChem CID156702017
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name3-(aminomethyl)indol-2-one;hydrochloride
SMILESCl.NCC1=c2ccccc2=NC1=O
InChIInChI=1S/C9H8N2O.ClH/c10-5-7-6-3-1-2-4-8(6)11-9(7)12;/h1-4H,5,10H2;1H
InChIKeySSUJGVGHBRRCAK-UHFFFAOYSA-N
XLogP-0.62
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxotryptamine
CID 86769186
2-Oxotryptamine hydrochloride
CID 86769185
3-(Aminomethyl)-5-fluoroindol-2-one
CID 71463741
5-fluoro-2H-indole-3-carboxamide
CID 124517537
4-(3-Aminoprop-2-enyl)indol-2-one
CID 67041038
7aH-indole-2-carboxamide
CID 69053470
N,2-dimethyl-2H-benzimidazole-5-carboxamide
CID 70416210
1H-pyrido[4,3-b]indole-8-carboxamide
CID 87564959
2-Oxoindole-3-carboxamide
CID 117632218
2H-indole-3-carboxamide
CID 124518031
3-Prop-1-enylindol-2-one;hydrochloride
CID 141362920
3-[3-(Methylamino)prop-1-ynyl]indol-2-one
CID 141999897

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)indol-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)indol-2-one;hydrochloride (CID 156702017) is 3-(aminomethyl)indol-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)indol-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)indol-2-one;hydrochloride is Cl.NCC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-(aminomethyl)indol-2-one;hydrochloride?
The InChIKey is SSUJGVGHBRRCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.ClH/c10-5-7-6-3-1-2-4-8(6)11-9(7)12;/h1-4H,5,10H2;1H.
What are the key properties of 3-(aminomethyl)indol-2-one;hydrochloride?
3-(aminomethyl)indol-2-one;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)indol-2-one;hydrochloride is sourced from PubChem (CID 156702017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).