bicyclo[4.1.0]hept-1-ene

C7H10 — CID 13431883

IUPACbicyclo[4.1.0]hept-1-ene
SMILESC1=C2CC2CCC1
InChIInChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h3,7H,1-2,4-5H2
InChIKeyJSIYGGNTVMFDHJ-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.12
Rot. Bonds

About bicyclo[4.1.0]hept-1-ene

bicyclo[4.1.0]hept-1-ene (PubChem CID 13431883) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is bicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Namebicyclo[4.1.0]hept-1-ene
PubChem CID13431883
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Namebicyclo[4.1.0]hept-1-ene
SMILESC1=C2CC2CCC1
InChIInChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h3,7H,1-2,4-5H2
InChIKeyJSIYGGNTVMFDHJ-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hept-1-ene?
The IUPAC name of bicyclo[4.1.0]hept-1-ene (CID 13431883) is bicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for bicyclo[4.1.0]hept-1-ene?
The canonical SMILES for bicyclo[4.1.0]hept-1-ene is C1=C2CC2CCC1.
What is the InChIKey of bicyclo[4.1.0]hept-1-ene?
The InChIKey is JSIYGGNTVMFDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h3,7H,1-2,4-5H2.
What are the key properties of bicyclo[4.1.0]hept-1-ene?
bicyclo[4.1.0]hept-1-ene has a molecular weight of 94.16 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 13431883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).