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

C19H17NO3 — CID 14957734

IUPAC1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H17NO3/c1-12(21)13-7-8-14-15(10-13)16(11-19(2,3)18(14)23)20-9-5-4-6-17(20)22/h4-11H,1-3H3
InChIKeyZDKKLNZMPIYFMK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.16
Rot. Bonds2

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

1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957734) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957734
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H17NO3/c1-12(21)13-7-8-14-15(10-13)16(11-19(2,3)18(14)23)20-9-5-4-6-17(20)22/h4-11H,1-3H3
InChIKeyZDKKLNZMPIYFMK-UHFFFAOYSA-N
XLogP3.16
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957734) is 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is CC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O.
What is the InChIKey of 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is ZDKKLNZMPIYFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12(21)13-7-8-14-15(10-13)16(11-19(2,3)18(14)23)20-9-5-4-6-17(20)22/h4-11H,1-3H3.
What are the key properties of 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).