cyclohepta[b]pyridin-4-one

C10H7NO — CID 91267558

IUPACcyclohepta[b]pyridin-4-one
SMILESO=c1ccnc2cccccc1-2
InChIInChI=1S/C10H7NO/c12-10-6-7-11-9-5-3-1-2-4-8(9)10/h1-7H
InChIKeyXPCWSKZNPMMRDD-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.55
Rot. Bonds

About cyclohepta[b]pyridin-4-one

cyclohepta[b]pyridin-4-one (PubChem CID 91267558) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is cyclohepta[b]pyridin-4-one.

Molecular Properties

Compound Namecyclohepta[b]pyridin-4-one
PubChem CID91267558
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Namecyclohepta[b]pyridin-4-one
SMILESO=c1ccnc2cccccc1-2
InChIInChI=1S/C10H7NO/c12-10-6-7-11-9-5-3-1-2-4-8(9)10/h1-7H
InChIKeyXPCWSKZNPMMRDD-UHFFFAOYSA-N
XLogP1.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Indol-7-one
CID 18376413
4H-quinolin-8-one
CID 18187031
Isoindole-4-one
CID 18933198
Benzoazepin-4-one
CID 21641559
4aH-quinolin-4-one
CID 45074595
Benz[e]indol-4-one
CID 129675893
Indol-5-one
CID 21494587
Dibenzazocinone
CID 87490799
Cyclopent-(b)-azocin-9-one
CID 129711538
N-methylanthrapyridon-9-imine
CID 129796937
Dibenzo[c,e]azepinone
CID 162368597
7-Fluoro-8-methylidenequinolin-4-one
CID 71304041

Frequently Asked Questions

What is the IUPAC name of cyclohepta[b]pyridin-4-one?
The IUPAC name of cyclohepta[b]pyridin-4-one (CID 91267558) is cyclohepta[b]pyridin-4-one.
What is the SMILES notation for cyclohepta[b]pyridin-4-one?
The canonical SMILES for cyclohepta[b]pyridin-4-one is O=c1ccnc2cccccc1-2.
What is the InChIKey of cyclohepta[b]pyridin-4-one?
The InChIKey is XPCWSKZNPMMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-6-7-11-9-5-3-1-2-4-8(9)10/h1-7H.
What are the key properties of cyclohepta[b]pyridin-4-one?
cyclohepta[b]pyridin-4-one has a molecular weight of 157.17 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b]pyridin-4-one is sourced from PubChem (CID 91267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).