2H-cyclohepta[b]pyran-7-one

C10H8O2 — CID 14935104

IUPAC2H-cyclohepta[b]pyran-7-one
SMILESO=c1ccc2c(cc1)OCC=C2
InChIInChI=1S/C10H8O2/c11-9-4-3-8-2-1-7-12-10(8)6-5-9/h1-6H,7H2
InChIKeyJGGMXRGLAWOAPH-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.45
Rot. Bonds

About 2H-cyclohepta[b]pyran-7-one

2H-cyclohepta[b]pyran-7-one (PubChem CID 14935104) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2H-cyclohepta[b]pyran-7-one.

Molecular Properties

Compound Name2H-cyclohepta[b]pyran-7-one
PubChem CID14935104
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name2H-cyclohepta[b]pyran-7-one
SMILESO=c1ccc2c(cc1)OCC=C2
InChIInChI=1S/C10H8O2/c11-9-4-3-8-2-1-7-12-10(8)6-5-9/h1-6H,7H2
InChIKeyJGGMXRGLAWOAPH-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxytropone
CID 244897
Citreopyrone E
CID 10704839
4-Methoxy-5-methyl-6-(5-oxohexa-1,3-dienyl)pyran-2-one
CID 85239337
2,4-dimethyl-7H-chromen-7-one
CID 765984
7H-1-Benzopyran-7-one
CID 21530759
Chromen-6(7 h)-one
CID 67662306
6(2h)-Benzofuranone
CID 68554803
2,4,6-Cycloheptatrien-1-one, 3-methoxy-
CID 12242160
1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
CID 12500718
[4-(2-Ethoxy-2-oxoethylidene)cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 15178798
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-one
CID 49842553
Pyranylidenepentenedione
CID 129783809

Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[b]pyran-7-one?
The IUPAC name of 2H-cyclohepta[b]pyran-7-one (CID 14935104) is 2H-cyclohepta[b]pyran-7-one.
What is the SMILES notation for 2H-cyclohepta[b]pyran-7-one?
The canonical SMILES for 2H-cyclohepta[b]pyran-7-one is O=c1ccc2c(cc1)OCC=C2.
What is the InChIKey of 2H-cyclohepta[b]pyran-7-one?
The InChIKey is JGGMXRGLAWOAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-4-3-8-2-1-7-12-10(8)6-5-9/h1-6H,7H2.
What are the key properties of 2H-cyclohepta[b]pyran-7-one?
2H-cyclohepta[b]pyran-7-one has a molecular weight of 160.17 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[b]pyran-7-one is sourced from PubChem (CID 14935104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).