2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one

C17H17NO2 — CID 135016118

IUPAC2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
SMILESC=C1Cc2c(cc(C)n(C)c2=O)OCc2ccccc21
InChIInChI=1S/C17H17NO2/c1-11-8-15-16(9-12(2)18(3)17(15)19)20-10-13-6-4-5-7-14(11)13/h4-7,9H,1,8,10H2,2-3H3
InChIKeyAKBRACORSCWFPZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.84
Rot. Bonds

About 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one

2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one (PubChem CID 135016118) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one.

Molecular Properties

Compound Name2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
PubChem CID135016118
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
SMILESC=C1Cc2c(cc(C)n(C)c2=O)OCc2ccccc21
InChIInChI=1S/C17H17NO2/c1-11-8-15-16(9-12(2)18(3)17(15)19)20-10-13-6-4-5-7-14(11)13/h4-7,9H,1,8,10H2,2-3H3
InChIKeyAKBRACORSCWFPZ-UHFFFAOYSA-N
XLogP2.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(2,4-Difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enylpyridin-2-one
CID 22050570
1-[(5-Fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methyl-4-phenylmethoxypyridin-2-one
CID 143008439
1,6-Dimethyl-2-oxo-1,2-dihydro-4-pyridinyl 2-methylbenzoate
CID 91824334
8-Methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
CID 135015818
1-But-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 142275063
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CID 18936962
7-Bicyclo[4.2.0]octa-1,3,5,7-tetraenyl 7-(2,5-dioxopyrrol-1-yl)heptanoate
CID 53633090
1-[6-(7-Bicyclo[4.2.0]octa-1,3,5,7-tetraenyloxy)hexyl]pyrrole-2,5-dione
CID 53735046
6-Methyl-1,4-bis(phenylmethoxy)-3-(1-phenylpropyl)pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
The IUPAC name of 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one (CID 135016118) is 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one.
What is the SMILES notation for 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
The canonical SMILES for 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one is C=C1Cc2c(cc(C)n(C)c2=O)OCc2ccccc21.
What is the InChIKey of 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
The InChIKey is AKBRACORSCWFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-8-15-16(9-12(2)18(3)17(15)19)20-10-13-6-4-5-7-14(11)13/h4-7,9H,1,8,10H2,2-3H3.
What are the key properties of 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one has a molecular weight of 267.33 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one is sourced from PubChem (CID 135016118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).