3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan

C11H10O — CID 143157689

IUPAC3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan
SMILESC1=CC2CC2C(c2ccoc2)=C1
InChIInChI=1S/C11H10O/c1-2-8-6-11(8)10(3-1)9-4-5-12-7-9/h1-5,7-8,11H,6H2
InChIKeyAMEYIEINFJDDRF-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.87
Rot. Bonds1

About 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan

3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan (PubChem CID 143157689) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan.

Molecular Properties

Compound Name3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan
PubChem CID143157689
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan
SMILESC1=CC2CC2C(c2ccoc2)=C1
InChIInChI=1S/C11H10O/c1-2-8-6-11(8)10(3-1)9-4-5-12-7-9/h1-5,7-8,11H,6H2
InChIKeyAMEYIEINFJDDRF-UHFFFAOYSA-N
XLogP2.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan?
The IUPAC name of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan (CID 143157689) is 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan.
What is the SMILES notation for 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan?
The canonical SMILES for 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan is C1=CC2CC2C(c2ccoc2)=C1.
What is the InChIKey of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan?
The InChIKey is AMEYIEINFJDDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-2-8-6-11(8)10(3-1)9-4-5-12-7-9/h1-5,7-8,11H,6H2.
What are the key properties of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan?
3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan has a molecular weight of 158.20 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)furan is sourced from PubChem (CID 143157689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).