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

C6H11ClN2O — CID 130737036

IUPAC(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCl.NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H10N2O.ClH/c7-6(9)5-3-1-8-2-4(3)5;/h3-5,8H,1-2H2,(H2,7,9);1H/t3-,4+,5?;
InChIKeyIOOQQAFDXAHVHN-FLGDEJNQSA-N
MW162.62 g/mol
LogP-0.64
Rot. Bonds1

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

(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 130737036) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID130737036
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCl.NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H10N2O.ClH/c7-6(9)5-3-1-8-2-4(3)5;/h3-5,8H,1-2H2,(H2,7,9);1H/t3-,4+,5?;
InChIKeyIOOQQAFDXAHVHN-FLGDEJNQSA-N
XLogP-0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 130737036) is (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is Cl.NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is IOOQQAFDXAHVHN-FLGDEJNQSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c7-6(9)5-3-1-8-2-4(3)5;/h3-5,8H,1-2H2,(H2,7,9);1H/t3-,4+,5?;.
What are the key properties of (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 130737036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).