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

C18H19NO3 — CID 135015818

IUPAC8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
SMILESC=C1Cc2c(cc(C)n(C)c2=O)OCc2cc(OC)ccc21
InChIInChI=1S/C18H19NO3/c1-11-7-16-17(8-12(2)19(3)18(16)20)22-10-13-9-14(21-4)5-6-15(11)13/h5-6,8-9H,1,7,10H2,2-4H3
InChIKeyRCYCQYKHWYFVMJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.85
Rot. Bonds1

About 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one

8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one (PubChem CID 135015818) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one.

Molecular Properties

Compound Name8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
PubChem CID135015818
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one
SMILESC=C1Cc2c(cc(C)n(C)c2=O)OCc2cc(OC)ccc21
InChIInChI=1S/C18H19NO3/c1-11-7-16-17(8-12(2)19(3)18(16)20)22-10-13-9-14(21-4)5-6-15(11)13/h5-6,8-9H,1,7,10H2,2-4H3
InChIKeyRCYCQYKHWYFVMJ-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
The IUPAC name of 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one (CID 135015818) is 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one.
What is the SMILES notation for 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
The canonical SMILES for 8-methoxy-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)OCc2cc(OC)ccc21.
What is the InChIKey of 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
The InChIKey is RCYCQYKHWYFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-7-16-17(8-12(2)19(3)18(16)20)22-10-13-9-14(21-4)5-6-15(11)13/h5-6,8-9H,1,7,10H2,2-4H3.
What are the key properties of 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one?
8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one has a molecular weight of 297.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3-dimethyl-11-methylidene-6,12-dihydro-[2]benzoxocino[4,3-c]pyridin-1-one is sourced from PubChem (CID 135015818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).