(10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one

C15H15NO — CID 67693913

IUPAC(10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one
SMILESO=C1NC2=C(C/C=C3/C=CC=CC13)CCC=C2
InChIInChI=1S/C15H15NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1,3-5,7-9,13H,2,6,10H2,(H,16,17)/b11-9-
InChIKeyFWGGANCNJXLQSC-LUAWRHEFSA-N
MW225.29 g/mol
LogP2.78
Rot. Bonds

About (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one

(10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one (PubChem CID 67693913) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one.

Molecular Properties

Compound Name(10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one
PubChem CID67693913
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one
SMILESO=C1NC2=C(C/C=C3/C=CC=CC13)CCC=C2
InChIInChI=1S/C15H15NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1,3-5,7-9,13H,2,6,10H2,(H,16,17)/b11-9-
InChIKeyFWGGANCNJXLQSC-LUAWRHEFSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[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

Frequently Asked Questions

What is the IUPAC name of (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one?
The IUPAC name of (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one (CID 67693913) is (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one.
What is the SMILES notation for (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one?
The canonical SMILES for (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one is O=C1NC2=C(C/C=C3/C=CC=CC13)CCC=C2.
What is the InChIKey of (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one?
The InChIKey is FWGGANCNJXLQSC-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1,3-5,7-9,13H,2,6,10H2,(H,16,17)/b11-9-.
What are the key properties of (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one?
(10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one has a molecular weight of 225.29 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aZ)-2,5,6a,12-tetrahydro-1H-benzo[c][1]benzazocin-6-one is sourced from PubChem (CID 67693913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).