(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

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Related Compounds

1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750917
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
1-(1,5-dimethylpyrrolidin-3-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677981
1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine
CID 130679544
1-(oxepan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677910
3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
1-(azetidin-3-yl)-2-thiophen-3-ylpyrrolidine;hydrochloride
CID 130747704
1-azatricyclo[4.2.0.02,4]octane
CID 131843917
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737

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).