(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride

C9H17ClN2 — CID 130992359

IUPAC(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC1C[C@@H]2C[C@@H]2N(C2CNC2)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-2-7-4-9(7)11(3-1)8-5-10-6-8;/h7-10H,1-6H2;1H/t7-,9+;/m1./s1
InChIKeyITVIOLOQNZDLDX-JXLXBRSFSA-N
MW188.70 g/mol
LogP0.86
Rot. Bonds1

About (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride

(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 130992359) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID130992359
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC1C[C@@H]2C[C@@H]2N(C2CNC2)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-2-7-4-9(7)11(3-1)8-5-10-6-8;/h7-10H,1-6H2;1H/t7-,9+;/m1./s1
InChIKeyITVIOLOQNZDLDX-JXLXBRSFSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride (CID 130992359) is (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride is C1C[C@@H]2C[C@@H]2N(C2CNC2)C1.Cl.
What is the InChIKey of (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is ITVIOLOQNZDLDX-JXLXBRSFSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-2-7-4-9(7)11(3-1)8-5-10-6-8;/h7-10H,1-6H2;1H/t7-,9+;/m1./s1.
What are the key properties of (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride?
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 130992359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).