bicyclo[4.1.0]hepta-1,3,5-triene;furan

C11H10O — CID 174888832

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;furan
SMILESc1ccc2c(c1)C2.c1ccoc1
InChIInChI=1S/C7H6.C4H4O/c1-2-4-7-5-6(7)3-1;1-2-4-5-3-1/h1-4H,5H2;1-4H
InChIKeyMYMPQXBTXFWBTN-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.87
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-triene;furan

bicyclo[4.1.0]hepta-1,3,5-triene;furan (PubChem CID 174888832) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;furan.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;furan
PubChem CID174888832
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;furan
SMILESc1ccc2c(c1)C2.c1ccoc1
InChIInChI=1S/C7H6.C4H4O/c1-2-4-7-5-6(7)3-1;1-2-4-5-3-1/h1-4H,5H2;1-4H
InChIKeyMYMPQXBTXFWBTN-UHFFFAOYSA-N
XLogP2.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 bicyclo[4.1.0]hepta-1,3,5-triene;furan?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;furan (CID 174888832) is bicyclo[4.1.0]hepta-1,3,5-triene;furan.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;furan?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;furan is c1ccc2c(c1)C2.c1ccoc1.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;furan?
The InChIKey is MYMPQXBTXFWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.C4H4O/c1-2-4-7-5-6(7)3-1;1-2-4-5-3-1/h1-4H,5H2;1-4H.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;furan?
bicyclo[4.1.0]hepta-1,3,5-triene;furan has a molecular weight of 158.20 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;furan is sourced from PubChem (CID 174888832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).