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

C11H9N3O2 — CID 115171999

IUPAC1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
SMILESCN(C(=O)C#N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H9N3O2/c1-14(11(16)6-12)8-2-3-9-7(4-8)5-10(15)13-9/h2-4H,5H2,1H3,(H,13,15)
InChIKeyPOCLJUIASYKWCG-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.67
Rot. Bonds1

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

1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide (PubChem CID 115171999) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
PubChem CID115171999
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
SMILESCN(C(=O)C#N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H9N3O2/c1-14(11(16)6-12)8-2-3-9-7(4-8)5-10(15)13-9/h2-4H,5H2,1H3,(H,13,15)
InChIKeyPOCLJUIASYKWCG-UHFFFAOYSA-N
XLogP0.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432
1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide
CID 115171972
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
CID 117042344
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 115117886
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103190481
1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide?
The IUPAC name of 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide (CID 115171999) is 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide is CN(C(=O)C#N)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide?
The InChIKey is POCLJUIASYKWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-14(11(16)6-12)8-2-3-9-7(4-8)5-10(15)13-9/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide?
1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide has a molecular weight of 215.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide is sourced from PubChem (CID 115171999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).