6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile

C16H11N3O — CID 71734143

IUPAC6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
SMILESN#Cc1cccc(-c2cc(C#N)c3n(c2=O)CCC3)c1
InChIInChI=1S/C16H11N3O/c17-9-11-3-1-4-12(7-11)14-8-13(10-18)15-5-2-6-19(15)16(14)20/h1,3-4,7-8H,2,5-6H2
InChIKeyYLHYUPGAYJKCJZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.20
Rot. Bonds1

About 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile

6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile (PubChem CID 71734143) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile.

Molecular Properties

Compound Name6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
PubChem CID71734143
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
SMILESN#Cc1cccc(-c2cc(C#N)c3n(c2=O)CCC3)c1
InChIInChI=1S/C16H11N3O/c17-9-11-3-1-4-12(7-11)14-8-13(10-18)15-5-2-6-19(15)16(14)20/h1,3-4,7-8H,2,5-6H2
InChIKeyYLHYUPGAYJKCJZ-UHFFFAOYSA-N
XLogP2.20
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-6-quinolin-3-yl-2,3-dihydro-1H-indolizine-8-carbonitrile
CID 71734429
6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
CID 71734329
3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
CID 13375485
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
3-[11-(furan-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile
CID 73139039
3-[6-oxo-11-(pyrimidine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile
CID 73139052
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141
3-[(1R,9R)-11-(2-methylsulfanylacetyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile
CID 162801857
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[2-(hydroxymethyl)phenyl]benzonitrile
CID 1392149
N-(3-cyanophenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 39899386

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
The IUPAC name of 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile (CID 71734143) is 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile.
What is the SMILES notation for 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
The canonical SMILES for 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile is N#Cc1cccc(-c2cc(C#N)c3n(c2=O)CCC3)c1.
What is the InChIKey of 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
The InChIKey is YLHYUPGAYJKCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-9-11-3-1-4-12(7-11)14-8-13(10-18)15-5-2-6-19(15)16(14)20/h1,3-4,7-8H,2,5-6H2.
What are the key properties of 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile is sourced from PubChem (CID 71734143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).