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

C14H9NO — CID 140976851

IUPAC4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
SMILESO=c1nccc2cccc3ccccc3c1-2
InChIInChI=1S/C14H9NO/c16-14-13-11(8-9-15-14)6-3-5-10-4-1-2-7-12(10)13/h1-9H
InChIKeyACNCDKQYGVFRJP-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.70
Rot. Bonds

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

4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one (PubChem CID 140976851) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one.

Molecular Properties

Compound Name4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
PubChem CID140976851
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
SMILESO=c1nccc2cccc3ccccc3c1-2
InChIInChI=1S/C14H9NO/c16-14-13-11(8-9-15-14)6-3-5-10-4-1-2-7-12(10)13/h1-9H
InChIKeyACNCDKQYGVFRJP-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 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one with MolForge

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Related Compounds

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CID 19092219
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CID 86637647
Cyclopenta[d]pyridon
CID 91450060
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
1,5-Dihydroisoquinolinone
CID 141331472
Cyclohepta[c]pyridin-1-one
CID 132279945
5-fluoro-5H-isoquinolin-1-one
CID 71303754
6,7-Difluoro-7h-isoquinolin-1-one
CID 72212541
7-(trifluoromethyl)-7H-isoquinolin-1-one
CID 178185920
4,10-Diazatricyclo[7.4.0.02,7]trideca-1,4,6,8,10,12-hexaen-3-one
CID 19874670
3-Ethylazepin-2-one
CID 23218762
8aH-isoquinolin-1-one
CID 45051642

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
The IUPAC name of 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one (CID 140976851) is 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one.
What is the SMILES notation for 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
The canonical SMILES for 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one is O=c1nccc2cccc3ccccc3c1-2.
What is the InChIKey of 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
The InChIKey is ACNCDKQYGVFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-14-13-11(8-9-15-14)6-3-5-10-4-1-2-7-12(10)13/h1-9H.
What are the key properties of 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one?
4-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 4-azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one is sourced from PubChem (CID 140976851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).