3-prop-1-enylbicyclo[3.1.0]hexane

C9H14 — CID 123941949

IUPAC3-prop-1-enylbicyclo[3.1.0]hexane
SMILESCC=CC1CC2CC2C1
InChIInChI=1S/C9H14/c1-2-3-7-4-8-6-9(8)5-7/h2-3,7-9H,4-6H2,1H3
InChIKeyKPDLIRZVFSLCQH-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 3-prop-1-enylbicyclo[3.1.0]hexane

3-prop-1-enylbicyclo[3.1.0]hexane (PubChem CID 123941949) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-prop-1-enylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-prop-1-enylbicyclo[3.1.0]hexane
PubChem CID123941949
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-prop-1-enylbicyclo[3.1.0]hexane
SMILESCC=CC1CC2CC2C1
InChIInChI=1S/C9H14/c1-2-3-7-4-8-6-9(8)5-7/h2-3,7-9H,4-6H2,1H3
InChIKeyKPDLIRZVFSLCQH-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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 3-prop-1-enylbicyclo[3.1.0]hexane?
The IUPAC name of 3-prop-1-enylbicyclo[3.1.0]hexane (CID 123941949) is 3-prop-1-enylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-prop-1-enylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-prop-1-enylbicyclo[3.1.0]hexane is CC=CC1CC2CC2C1.
What is the InChIKey of 3-prop-1-enylbicyclo[3.1.0]hexane?
The InChIKey is KPDLIRZVFSLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-3-7-4-8-6-9(8)5-7/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 3-prop-1-enylbicyclo[3.1.0]hexane?
3-prop-1-enylbicyclo[3.1.0]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123941949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).