10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one

C14H17NO2 — CID 175653716

IUPAC10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
SMILESCC1CC(C)(C)N2COC(=O)c3cccc1c32
InChIInChI=1S/C14H17NO2/c1-9-7-14(2,3)15-8-17-13(16)11-6-4-5-10(9)12(11)15/h4-6,9H,7-8H2,1-3H3
InChIKeyMNXITDAGEVLQAV-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.91
Rot. Bonds

About 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one

10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one (PubChem CID 175653716) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one.

Molecular Properties

Compound Name10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
PubChem CID175653716
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
SMILESCC1CC(C)(C)N2COC(=O)c3cccc1c32
InChIInChI=1S/C14H17NO2/c1-9-7-14(2,3)15-8-17-13(16)11-6-4-5-10(9)12(11)15/h4-6,9H,7-8H2,1-3H3
InChIKeyMNXITDAGEVLQAV-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The IUPAC name of 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one (CID 175653716) is 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one.
What is the SMILES notation for 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The canonical SMILES for 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one is CC1CC(C)(C)N2COC(=O)c3cccc1c32.
What is the InChIKey of 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The InChIKey is MNXITDAGEVLQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-7-14(2,3)15-8-17-13(16)11-6-4-5-10(9)12(11)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one has a molecular weight of 231.29 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one is sourced from PubChem (CID 175653716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).