1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

C17H13Cl2NO2 — CID 14957727

IUPAC1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H13Cl2NO2/c1-17(2)9-14(20-6-4-3-5-15(20)21)10-7-12(18)13(19)8-11(10)16(17)22/h3-9H,1-2H3
InChIKeyMWCMNTLTSBKWJD-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.27
Rot. Bonds1

About 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957727) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957727
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC Name1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H13Cl2NO2/c1-17(2)9-14(20-6-4-3-5-15(20)21)10-7-12(18)13(19)8-11(10)16(17)22/h3-9H,1-2H3
InChIKeyMWCMNTLTSBKWJD-UHFFFAOYSA-N
XLogP4.27
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957727) is 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is MWCMNTLTSBKWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c1-17(2)9-14(20-6-4-3-5-15(20)21)10-7-12(18)13(19)8-11(10)16(17)22/h3-9H,1-2H3.
What are the key properties of 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 334.20 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).