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

C19H17NO2 — CID 14957733

IUPAC1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESC=Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H17NO2/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/h4-12H,1H2,2-3H3
InChIKeyHQUJXYNVUBPBTM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.60
Rot. Bonds2

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

1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957733) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957733
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESC=Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H17NO2/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/h4-12H,1H2,2-3H3
InChIKeyHQUJXYNVUBPBTM-UHFFFAOYSA-N
XLogP3.60
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957733) is 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is C=Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O.
What is the InChIKey of 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is HQUJXYNVUBPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/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/h4-12H,1H2,2-3H3.
What are the key properties of 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethenyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).