(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C7H13ClN2O — CID 130745668

IUPAC(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCNC(=O)C1[C@H]2CNC[C@@H]12.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-8-7(10)6-4-2-9-3-5(4)6;/h4-6,9H,2-3H2,1H3,(H,8,10);1H/t4-,5+,6?;
InChIKeyCRFBJUJZYLUHPG-FTEHNKOGSA-N
MW176.65 g/mol
LogP-0.38
Rot. Bonds1

About (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 130745668) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID130745668
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCNC(=O)C1[C@H]2CNC[C@@H]12.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-8-7(10)6-4-2-9-3-5(4)6;/h4-6,9H,2-3H2,1H3,(H,8,10);1H/t4-,5+,6?;
InChIKeyCRFBJUJZYLUHPG-FTEHNKOGSA-N
XLogP-0.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 130745668) is (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is CNC(=O)C1[C@H]2CNC[C@@H]12.Cl.
What is the InChIKey of (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is CRFBJUJZYLUHPG-FTEHNKOGSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-8-7(10)6-4-2-9-3-5(4)6;/h4-6,9H,2-3H2,1H3,(H,8,10);1H/t4-,5+,6?;.
What are the key properties of (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 130745668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).