5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one

C16H15NO — CID 13447635

IUPAC5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
SMILESCN1C(=O)c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H15NO/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16(17)18/h2-9H,10-11H2,1H3
InChIKeyWSTOHEQUNKZOFY-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.06
Rot. Bonds

About 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one

5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one (PubChem CID 13447635) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one.

Molecular Properties

Compound Name5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
PubChem CID13447635
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
SMILESCN1C(=O)c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H15NO/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16(17)18/h2-9H,10-11H2,1H3
InChIKeyWSTOHEQUNKZOFY-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-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

8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
CID 11098803
2-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 23591920
(3E,4Z)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-methyl-5,6-dihydro-1-benzazocin-2-one
CID 174331952
(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one
CID 113217969
(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
CID 113217895
1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
CID 24974677
9,10-dihydrophenanthrene;ethane
CID 143759681
11-tert-butyl-5-methylbenzo[b][1,4]benzodiazepin-6-one
CID 162498946
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one?
The IUPAC name of 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one (CID 13447635) is 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one.
What is the SMILES notation for 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one?
The canonical SMILES for 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one is CN1C(=O)c2ccccc2CCc2ccccc21.
What is the InChIKey of 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one?
The InChIKey is WSTOHEQUNKZOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16(17)18/h2-9H,10-11H2,1H3.
What are the key properties of 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one?
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one has a molecular weight of 237.30 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one is sourced from PubChem (CID 13447635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).