3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane

C14H17N — CID 150333086

IUPAC3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane
SMILESc1ccc(C2CC3CC3N2)c(C2CC2)c1
InChIInChI=1S/C14H17N/c1-2-4-12(11(3-1)9-5-6-9)14-8-10-7-13(10)15-14/h1-4,9-10,13-15H,5-8H2
InChIKeyGQCCIFZLCQWSHY-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.99
Rot. Bonds2

About 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane

3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 150333086) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane
PubChem CID150333086
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane
SMILESc1ccc(C2CC3CC3N2)c(C2CC2)c1
InChIInChI=1S/C14H17N/c1-2-4-12(11(3-1)9-5-6-9)14-8-10-7-13(10)15-14/h1-4,9-10,13-15H,5-8H2
InChIKeyGQCCIFZLCQWSHY-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane (CID 150333086) is 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane is c1ccc(C2CC3CC3N2)c(C2CC2)c1.
What is the InChIKey of 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is GQCCIFZLCQWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-4-12(11(3-1)9-5-6-9)14-8-10-7-13(10)15-14/h1-4,9-10,13-15H,5-8H2.
What are the key properties of 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane?
3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 199.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 150333086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).