1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

C19H19NO2 — CID 14957732

IUPAC1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCCc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H19NO2/c1-4-13-8-9-14-15(11-13)16(12-19(2,3)18(14)22)20-10-6-5-7-17(20)21/h5-12H,4H2,1-3H3
InChIKeyPFSRIESEUNEMNF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.52
Rot. Bonds2

About 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957732) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957732
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCCc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H19NO2/c1-4-13-8-9-14-15(11-13)16(12-19(2,3)18(14)22)20-10-6-5-7-17(20)21/h5-12H,4H2,1-3H3
InChIKeyPFSRIESEUNEMNF-UHFFFAOYSA-N
XLogP3.52
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957732) is 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is CCc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O.
What is the InChIKey of 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is PFSRIESEUNEMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-13-8-9-14-15(11-13)16(12-19(2,3)18(14)22)20-10-6-5-7-17(20)21/h5-12H,4H2,1-3H3.
What are the key properties of 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).