1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one

C18H17NO3 — CID 10063093

IUPAC1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one
SMILESCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2
InChIInChI=1S/C18H17NO3/c1-12(20)13-7-8-16-14(10-13)15(11-18(2,3)22-16)19-9-5-4-6-17(19)21/h4-11H,1-3H3
InChIKeyZOQGAXKPTLBWHP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds2

About 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one

1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one (PubChem CID 10063093) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one
PubChem CID10063093
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one
SMILESCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2
InChIInChI=1S/C18H17NO3/c1-12(20)13-7-8-16-14(10-13)15(11-18(2,3)22-16)19-9-5-4-6-17(19)21/h4-11H,1-3H3
InChIKeyZOQGAXKPTLBWHP-UHFFFAOYSA-N
XLogP3.11
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one?
The IUPAC name of 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one (CID 10063093) is 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one?
The canonical SMILES for 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one is CC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2.
What is the InChIKey of 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one?
The InChIKey is ZOQGAXKPTLBWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(20)13-7-8-16-14(10-13)15(11-18(2,3)22-16)19-9-5-4-6-17(19)21/h4-11H,1-3H3.
What are the key properties of 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one?
1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-2,2-dimethylchromen-4-yl)pyridin-2-one is sourced from PubChem (CID 10063093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).