3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one

C16H15NO3 — CID 46898870

IUPAC3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one
SMILESCC1(C)CC(=O)Oc2c(-c3ccc[nH]c3=O)cccc21
InChIInChI=1S/C16H15NO3/c1-16(2)9-13(18)20-14-10(5-3-7-12(14)16)11-6-4-8-17-15(11)19/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyQZKCPJPEGDCEEF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.63
Rot. Bonds1

About 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one

3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one (PubChem CID 46898870) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one
PubChem CID46898870
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one
SMILESCC1(C)CC(=O)Oc2c(-c3ccc[nH]c3=O)cccc21
InChIInChI=1S/C16H15NO3/c1-16(2)9-13(18)20-14-10(5-3-7-12(14)16)11-6-4-8-17-15(11)19/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyQZKCPJPEGDCEEF-UHFFFAOYSA-N
XLogP2.63
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-(3-Tert-Butyl-4-Methoxyphenyl)pyridin-2(1h)-One
CID 44624992
5-Benzoyloxy-1(2H)-isoquinolinone
CID 659976
3-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-5-fluoro-1H-pyridin-2-one
CID 123409375
3-(2-Methoxy-5-methylphenyl)pyridin-2(1H)-one
CID 50981618
methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
CID 14857375
2,2-Dimethyl-4-(1,2-dihydro-2-oxo-3-pyridyl)-6-carbamoylchroman
CID 14857381
N-ethyl-9-prop-2-enylxanthene-9-carboxamide
CID 18409235
9-hexyl-N-propylxanthene-9-carboxamide
CID 18409413
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one
CID 23177573
3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid
CID 44624077
3-(3-(tert-butyl)-4-methoxy-5-methylphenyl)pyridin-2(1H)-one
CID 44624084
3-(3-(Tert-butyl)-5-ethyl-4-methoxyphenyl)pyridin-2(1h)-one
CID 44624148

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one (CID 46898870) is 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one is CC1(C)CC(=O)Oc2c(-c3ccc[nH]c3=O)cccc21.
What is the InChIKey of 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one?
The InChIKey is QZKCPJPEGDCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-16(2)9-13(18)20-14-10(5-3-7-12(14)16)11-6-4-8-17-15(11)19/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one?
3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2-oxo-3H-chromen-8-yl)-1H-pyridin-2-one is sourced from PubChem (CID 46898870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).