2H-cyclohepta[b]furan

C9H8O — CID 71358872

IUPAC2H-cyclohepta[b]furan
SMILESC1=CC=C2OCC=C2C=C1
InChIInChI=1S/C9H8O/c1-2-4-8-6-7-10-9(8)5-3-1/h1-6H,7H2
InChIKeyIQYNYJJLNYMECO-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.95
Rot. Bonds

About 2H-cyclohepta[b]furan

2H-cyclohepta[b]furan (PubChem CID 71358872) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 2H-cyclohepta[b]furan.

Molecular Properties

Compound Name2H-cyclohepta[b]furan
PubChem CID71358872
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name2H-cyclohepta[b]furan
SMILESC1=CC=C2OCC=C2C=C1
InChIInChI=1S/C9H8O/c1-2-4-8-6-7-10-9(8)5-3-1/h1-6H,7H2
InChIKeyIQYNYJJLNYMECO-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[b]furan?
The IUPAC name of 2H-cyclohepta[b]furan (CID 71358872) is 2H-cyclohepta[b]furan.
What is the SMILES notation for 2H-cyclohepta[b]furan?
The canonical SMILES for 2H-cyclohepta[b]furan is C1=CC=C2OCC=C2C=C1.
What is the InChIKey of 2H-cyclohepta[b]furan?
The InChIKey is IQYNYJJLNYMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-2-4-8-6-7-10-9(8)5-3-1/h1-6H,7H2.
What are the key properties of 2H-cyclohepta[b]furan?
2H-cyclohepta[b]furan has a molecular weight of 132.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[b]furan is sourced from PubChem (CID 71358872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).