2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide

C13H13N3O2 — CID 115174931

IUPAC2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H13N3O2/c1-13(2,7-14)12(18)15-9-3-4-10-8(5-9)6-11(17)16-10/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyRSGYSGVTEVXTHI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.67
Rot. Bonds2

About 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide

2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide (PubChem CID 115174931) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
PubChem CID115174931
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H13N3O2/c1-13(2,7-14)12(18)15-9-3-4-10-8(5-9)6-11(17)16-10/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyRSGYSGVTEVXTHI-UHFFFAOYSA-N
XLogP1.67
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2-cyano-2-methyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 75418530
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide (CID 115174931) is 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide is CC(C)(C#N)C(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide?
The InChIKey is RSGYSGVTEVXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-13(2,7-14)12(18)15-9-3-4-10-8(5-9)6-11(17)16-10/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide?
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide has a molecular weight of 243.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide is sourced from PubChem (CID 115174931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).