1-(2-oxopentyl)indole-6-carbonitrile

C14H14N2O — CID 107916852

IUPAC1-(2-oxopentyl)indole-6-carbonitrile
SMILESCCCC(=O)Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H14N2O/c1-2-3-13(17)10-16-7-6-12-5-4-11(9-15)8-14(12)16/h4-8H,2-3,10H2,1H3
InChIKeyARPKJNGVDZTTSW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-oxopentyl)indole-6-carbonitrile

1-(2-oxopentyl)indole-6-carbonitrile (PubChem CID 107916852) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-oxopentyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(2-oxopentyl)indole-6-carbonitrile
PubChem CID107916852
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(2-oxopentyl)indole-6-carbonitrile
SMILESCCCC(=O)Cn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H14N2O/c1-2-3-13(17)10-16-7-6-12-5-4-11(9-15)8-14(12)16/h4-8H,2-3,10H2,1H3
InChIKeyARPKJNGVDZTTSW-UHFFFAOYSA-N
XLogP2.88
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
CID 114015633
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-[2-(2-bromophenyl)-2-oxoethyl]indole-6-carbonitrile
CID 107916847
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
hydrazinyl 3-(6-cyanoindol-1-yl)propanoate
CID 107917655
2-acetamido-3-(6-cyanoindol-1-yl)propanoic acid
CID 107916575
1-prop-2-enylindole-6-carbonitrile
CID 107917180
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopentyl)indole-6-carbonitrile?
The IUPAC name of 1-(2-oxopentyl)indole-6-carbonitrile (CID 107916852) is 1-(2-oxopentyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(2-oxopentyl)indole-6-carbonitrile?
The canonical SMILES for 1-(2-oxopentyl)indole-6-carbonitrile is CCCC(=O)Cn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-(2-oxopentyl)indole-6-carbonitrile?
The InChIKey is ARPKJNGVDZTTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-3-13(17)10-16-7-6-12-5-4-11(9-15)8-14(12)16/h4-8H,2-3,10H2,1H3.
What are the key properties of 1-(2-oxopentyl)indole-6-carbonitrile?
1-(2-oxopentyl)indole-6-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopentyl)indole-6-carbonitrile is sourced from PubChem (CID 107916852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).