1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile

C17H14N2O — CID 14896393

IUPAC1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc21
InChIInChI=1S/C17H14N2O/c1-17(2)10-15(19-8-4-3-5-16(19)20)13-9-12(11-18)6-7-14(13)17/h3-10H,1-2H3
InChIKeyDFTHRUQSBPCHQN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.90
Rot. Bonds1

About 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile

1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile (PubChem CID 14896393) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile
PubChem CID14896393
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc21
InChIInChI=1S/C17H14N2O/c1-17(2)10-15(19-8-4-3-5-16(19)20)13-9-12(11-18)6-7-14(13)17/h3-10H,1-2H3
InChIKeyDFTHRUQSBPCHQN-UHFFFAOYSA-N
XLogP2.90
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile?
The IUPAC name of 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile (CID 14896393) is 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile.
What is the SMILES notation for 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile?
The canonical SMILES for 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile is CC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc21.
What is the InChIKey of 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile?
The InChIKey is DFTHRUQSBPCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-17(2)10-15(19-8-4-3-5-16(19)20)13-9-12(11-18)6-7-14(13)17/h3-10H,1-2H3.
What are the key properties of 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile?
1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-oxo-1-pyridinyl)indene-5-carbonitrile is sourced from PubChem (CID 14896393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).