2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile

C10H9N3O — CID 115130733

IUPAC2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
SMILESN#CCNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H9N3O/c11-3-4-12-8-1-2-9-7(5-8)6-10(14)13-9/h1-2,5,12H,4,6H2,(H,13,14)
InChIKeyYDYQRPXCINJZCL-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.12
Rot. Bonds2

About 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile

2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile (PubChem CID 115130733) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
PubChem CID115130733
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
SMILESN#CCNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H9N3O/c11-3-4-12-8-1-2-9-7(5-8)6-10(14)13-9/h1-2,5,12H,4,6H2,(H,13,14)
InChIKeyYDYQRPXCINJZCL-UHFFFAOYSA-N
XLogP1.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
CID 115252675
5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-2-carbonitrile
CID 133392551
4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile
CID 115149980
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
N-(2-oxo-1,3-dihydroindol-5-yl)propane-2-sulfonamide
CID 40805053
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile?
The IUPAC name of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile (CID 115130733) is 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile is N#CCNc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile?
The InChIKey is YDYQRPXCINJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-3-4-12-8-1-2-9-7(5-8)6-10(14)13-9/h1-2,5,12H,4,6H2,(H,13,14).
What are the key properties of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile?
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile is sourced from PubChem (CID 115130733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).