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

C18H16N2O — CID 14896409

IUPAC1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile
SMILESCC1(C)C=C(Cn2ccccc2=O)c2cc(C#N)ccc21
InChIInChI=1S/C18H16N2O/c1-18(2)10-14(12-20-8-4-3-5-17(20)21)15-9-13(11-19)6-7-16(15)18/h3-10H,12H2,1-2H3
InChIKeyZOSBFEPDNBUZFA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.09
Rot. Bonds2

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

1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile (PubChem CID 14896409) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile
PubChem CID14896409
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile
SMILESCC1(C)C=C(Cn2ccccc2=O)c2cc(C#N)ccc21
InChIInChI=1S/C18H16N2O/c1-18(2)10-14(12-20-8-4-3-5-17(20)21)15-9-13(11-19)6-7-16(15)18/h3-10H,12H2,1-2H3
InChIKeyZOSBFEPDNBUZFA-UHFFFAOYSA-N
XLogP3.09
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile?
The IUPAC name of 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile (CID 14896409) is 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile.
What is the SMILES notation for 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile?
The canonical SMILES for 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile is CC1(C)C=C(Cn2ccccc2=O)c2cc(C#N)ccc21.
What is the InChIKey of 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile?
The InChIKey is ZOSBFEPDNBUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-18(2)10-14(12-20-8-4-3-5-17(20)21)15-9-13(11-19)6-7-16(15)18/h3-10H,12H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile?
1,1-dimethyl-3-[(2-oxo-1-pyridinyl)methyl]indene-5-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.09, 2 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)methyl]indene-5-carbonitrile is sourced from PubChem (CID 14896409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).