8H-cyclohepta[b]pyran-2-one

C10H8O2 — CID 143529641

IUPAC8H-cyclohepta[b]pyran-2-one
SMILESO=c1ccc2c(o1)=CCC=CC=2
InChIInChI=1S/C10H8O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h1-2,4-7H,3H2
InChIKeyFXXSFZWHFKGPIG-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.16
Rot. Bonds

About 8H-cyclohepta[b]pyran-2-one

8H-cyclohepta[b]pyran-2-one (PubChem CID 143529641) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 8H-cyclohepta[b]pyran-2-one.

Molecular Properties

Compound Name8H-cyclohepta[b]pyran-2-one
PubChem CID143529641
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name8H-cyclohepta[b]pyran-2-one
SMILESO=c1ccc2c(o1)=CCC=CC=2
InChIInChI=1S/C10H8O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h1-2,4-7H,3H2
InChIKeyFXXSFZWHFKGPIG-UHFFFAOYSA-N
XLogP0.16
TPSA30.21 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 ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[b]pyran-2-one?
The IUPAC name of 8H-cyclohepta[b]pyran-2-one (CID 143529641) is 8H-cyclohepta[b]pyran-2-one.
What is the SMILES notation for 8H-cyclohepta[b]pyran-2-one?
The canonical SMILES for 8H-cyclohepta[b]pyran-2-one is O=c1ccc2c(o1)=CCC=CC=2.
What is the InChIKey of 8H-cyclohepta[b]pyran-2-one?
The InChIKey is FXXSFZWHFKGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h1-2,4-7H,3H2.
What are the key properties of 8H-cyclohepta[b]pyran-2-one?
8H-cyclohepta[b]pyran-2-one has a molecular weight of 160.17 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[b]pyran-2-one is sourced from PubChem (CID 143529641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).