6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one

C14H9NO — CID 172835606

IUPAC6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
SMILESO=c1ccnc2cccc3ccccc3c1-2
InChIInChI=1S/C14H9NO/c16-13-8-9-15-12-7-3-5-10-4-1-2-6-11(10)14(12)13/h1-9H
InChIKeyWCNZWVMPSNEPLZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.70
Rot. Bonds

About 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one

6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one (PubChem CID 172835606) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one.

Molecular Properties

Compound Name6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
PubChem CID172835606
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
SMILESO=c1ccnc2cccc3ccccc3c1-2
InChIInChI=1S/C14H9NO/c16-13-8-9-15-12-7-3-5-10-4-1-2-6-11(10)14(12)13/h1-9H
InChIKeyWCNZWVMPSNEPLZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-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

Indol-7-one
CID 18376413
4H-quinolin-8-one
CID 18187031
Benzoazepin-4-one
CID 21641559
4aH-quinolin-4-one
CID 45074595
Cyclohepta[b]pyridin-4-one
CID 91267558
Benz[e]indol-4-one
CID 129675893
Pyrrolo-[2,3-f]quinol-9-one
CID 129800260
Indol-5-one
CID 21494587
Dibenzazocinone
CID 87490799
Cyclopent-(b)-azocin-9-one
CID 129711538
N-methylanthrapyridon-9-imine
CID 129796937
Azepino[2,1-b]quinazolone
CID 129885306

Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
The IUPAC name of 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one (CID 172835606) is 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one.
What is the SMILES notation for 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
The canonical SMILES for 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one is O=c1ccnc2cccc3ccccc3c1-2.
What is the InChIKey of 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
The InChIKey is WCNZWVMPSNEPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-13-8-9-15-12-7-3-5-10-4-1-2-6-11(10)14(12)13/h1-9H.
What are the key properties of 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one has a molecular weight of 207.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one is sourced from PubChem (CID 172835606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).