2-oxo-1,3-dihydroindole-5-carbonyl cyanide

C10H6N2O2 — CID 116918958

IUPAC2-oxo-1,3-dihydroindole-5-carbonyl cyanide
SMILESN#CC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H6N2O2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4H2,(H,12,14)
InChIKeyOOLVAFYLLCHBMO-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.89
Rot. Bonds1

About 2-oxo-1,3-dihydroindole-5-carbonyl cyanide

2-oxo-1,3-dihydroindole-5-carbonyl cyanide (PubChem CID 116918958) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-oxo-1,3-dihydroindole-5-carbonyl cyanide.

Molecular Properties

Compound Name2-oxo-1,3-dihydroindole-5-carbonyl cyanide
PubChem CID116918958
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name2-oxo-1,3-dihydroindole-5-carbonyl cyanide
SMILESN#CC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C10H6N2O2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4H2,(H,12,14)
InChIKeyOOLVAFYLLCHBMO-UHFFFAOYSA-N
XLogP0.89
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.89
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

5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
CID 116826431
1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
CID 115171999
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
N-(2-amino-2-oxoethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103901262

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydroindole-5-carbonyl cyanide?
The IUPAC name of 2-oxo-1,3-dihydroindole-5-carbonyl cyanide (CID 116918958) is 2-oxo-1,3-dihydroindole-5-carbonyl cyanide.
What is the SMILES notation for 2-oxo-1,3-dihydroindole-5-carbonyl cyanide?
The canonical SMILES for 2-oxo-1,3-dihydroindole-5-carbonyl cyanide is N#CC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-oxo-1,3-dihydroindole-5-carbonyl cyanide?
The InChIKey is OOLVAFYLLCHBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4H2,(H,12,14).
What are the key properties of 2-oxo-1,3-dihydroindole-5-carbonyl cyanide?
2-oxo-1,3-dihydroindole-5-carbonyl cyanide has a molecular weight of 186.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydroindole-5-carbonyl cyanide is sourced from PubChem (CID 116918958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).