2-prop-2-enyl-2-azabicyclo[3.1.0]hexane

C8H13N — CID 131029858

IUPAC2-prop-2-enyl-2-azabicyclo[3.1.0]hexane
SMILESC=CCN1CCC2CC21
InChIInChI=1S/C8H13N/c1-2-4-9-5-3-7-6-8(7)9/h2,7-8H,1,3-6H2
InChIKeyBUIJOMPWFDAAEE-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.27
Rot. Bonds2

About 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane

2-prop-2-enyl-2-azabicyclo[3.1.0]hexane (PubChem CID 131029858) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-prop-2-enyl-2-azabicyclo[3.1.0]hexane
PubChem CID131029858
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-prop-2-enyl-2-azabicyclo[3.1.0]hexane
SMILESC=CCN1CCC2CC21
InChIInChI=1S/C8H13N/c1-2-4-9-5-3-7-6-8(7)9/h2,7-8H,1,3-6H2
InChIKeyBUIJOMPWFDAAEE-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane (CID 131029858) is 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane is C=CCN1CCC2CC21.
What is the InChIKey of 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is BUIJOMPWFDAAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-9-5-3-7-6-8(7)9/h2,7-8H,1,3-6H2.
What are the key properties of 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane?
2-prop-2-enyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 123.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131029858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).