2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane

C8H12ClN — CID 131237501

IUPAC2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane
SMILESCl/C=C/CN1CCC2CC21
InChIInChI=1S/C8H12ClN/c9-3-1-4-10-5-2-7-6-8(7)10/h1,3,7-8H,2,4-6H2/b3-1+
InChIKeyLVNSOIQBERSUSA-HNQUOIGGSA-N
MW157.64 g/mol
LogP1.83
Rot. Bonds2

About 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane

2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane (PubChem CID 131237501) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane
PubChem CID131237501
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane
SMILESCl/C=C/CN1CCC2CC21
InChIInChI=1S/C8H12ClN/c9-3-1-4-10-5-2-7-6-8(7)10/h1,3,7-8H,2,4-6H2/b3-1+
InChIKeyLVNSOIQBERSUSA-HNQUOIGGSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane (CID 131237501) is 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane is Cl/C=C/CN1CCC2CC21.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane?
The InChIKey is LVNSOIQBERSUSA-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H12ClN/c9-3-1-4-10-5-2-7-6-8(7)10/h1,3,7-8H,2,4-6H2/b3-1+.
What are the key properties of 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane?
2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 157.64 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131237501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).