1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one

C19H19NO3 — CID 10733674

IUPAC1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one
SMILESCCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2
InChIInChI=1S/C19H19NO3/c1-4-16(21)13-8-9-17-14(11-13)15(12-19(2,3)23-17)20-10-6-5-7-18(20)22/h5-12H,4H2,1-3H3
InChIKeyJKRIRQSMTJUGDW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.50
Rot. Bonds3

About 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one

1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one (PubChem CID 10733674) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one
PubChem CID10733674
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one
SMILESCCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2
InChIInChI=1S/C19H19NO3/c1-4-16(21)13-8-9-17-14(11-13)15(12-19(2,3)23-17)20-10-6-5-7-18(20)22/h5-12H,4H2,1-3H3
InChIKeyJKRIRQSMTJUGDW-UHFFFAOYSA-N
XLogP3.50
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one?
The IUPAC name of 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one (CID 10733674) is 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one is CCC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2.
What is the InChIKey of 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one?
The InChIKey is JKRIRQSMTJUGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-16(21)13-8-9-17-14(11-13)15(12-19(2,3)23-17)20-10-6-5-7-18(20)22/h5-12H,4H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one?
1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-6-propanoylchromen-4-yl)pyridin-2-one is sourced from PubChem (CID 10733674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).