2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile

C18H16N2O2 — CID 14517985

IUPAC2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
SMILESCC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C18H16N2O2/c1-12-17(20-9-5-4-6-16(20)21)14-10-13(11-19)7-8-15(14)22-18(12,2)3/h4-10H,1-3H3
InChIKeyCYKSUXPLFDNJQN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.17
Rot. Bonds1

About 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile

2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile (PubChem CID 14517985) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
PubChem CID14517985
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
SMILESCC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C18H16N2O2/c1-12-17(20-9-5-4-6-16(20)21)14-10-13(11-19)7-8-15(14)22-18(12,2)3/h4-10H,1-3H3
InChIKeyCYKSUXPLFDNJQN-UHFFFAOYSA-N
XLogP3.17
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The IUPAC name of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile (CID 14517985) is 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile.
What is the SMILES notation for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The canonical SMILES for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile is CC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The InChIKey is CYKSUXPLFDNJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-17(20-9-5-4-6-16(20)21)14-10-13(11-19)7-8-15(14)22-18(12,2)3/h4-10H,1-3H3.
What are the key properties of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile is sourced from PubChem (CID 14517985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).