1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane

C9H12 — CID 163863774

IUPAC1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane
SMILESC1=C(C23CCCC2C3)C1
InChIInChI=1S/C9H12/c1-2-8-6-9(8,5-1)7-3-4-7/h3,8H,1-2,4-6H2
InChIKeyPEVHKDBINMPJCA-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.51
Rot. Bonds1

About 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane

1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane (PubChem CID 163863774) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane
PubChem CID163863774
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane
SMILESC1=C(C23CCCC2C3)C1
InChIInChI=1S/C9H12/c1-2-8-6-9(8,5-1)7-3-4-7/h3,8H,1-2,4-6H2
InChIKeyPEVHKDBINMPJCA-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.51
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 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane?
The IUPAC name of 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane (CID 163863774) is 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane?
The canonical SMILES for 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane is C1=C(C23CCCC2C3)C1.
What is the InChIKey of 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane?
The InChIKey is PEVHKDBINMPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-8-6-9(8,5-1)7-3-4-7/h3,8H,1-2,4-6H2.
What are the key properties of 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane?
1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane has a molecular weight of 120.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropen-1-yl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 163863774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).