10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one

C12H14N2O — CID 142894402

IUPAC10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
SMILESCC1CCN2CNC(=O)c3cccc1c32
InChIInChI=1S/C12H14N2O/c1-8-5-6-14-7-13-12(15)10-4-2-3-9(8)11(10)14/h2-4,8H,5-7H2,1H3,(H,13,15)
InChIKeyRCRHMRQOVWDFRH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.70
Rot. Bonds

About 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one

10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one (PubChem CID 142894402) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one.

Molecular Properties

Compound Name10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
PubChem CID142894402
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
SMILESCC1CCN2CNC(=O)c3cccc1c32
InChIInChI=1S/C12H14N2O/c1-8-5-6-14-7-13-12(15)10-4-2-3-9(8)11(10)14/h2-4,8H,5-7H2,1H3,(H,13,15)
InChIKeyRCRHMRQOVWDFRH-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-methyl-1,3-diazatricyclo[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

Related Compounds

1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
5-(4,8-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 154765814
10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
CID 175653716
3-(2-fluorophenyl)-9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 177161441
2-methyl-N-[1-(2-methylcyclopropanecarbonyl)-5-oxo-3,4-dihydro-2H-1,4-benzodiazepin-9-yl]cyclopropane-1-carboxamide
CID 166385705
1,4-dimethyl-2,3,4,5,6,7-hexahydro-1,7-benzodiazecin-8-one
CID 138735346
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidin-2-one
CID 154758188
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
5-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrazole-4-carbonitrile
CID 154846954
11-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 11615565

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The IUPAC name of 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one (CID 142894402) is 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one.
What is the SMILES notation for 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The canonical SMILES for 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one is CC1CCN2CNC(=O)c3cccc1c32.
What is the InChIKey of 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The InChIKey is RCRHMRQOVWDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-5-6-14-7-13-12(15)10-4-2-3-9(8)11(10)14/h2-4,8H,5-7H2,1H3,(H,13,15).
What are the key properties of 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one is sourced from PubChem (CID 142894402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).