3-azabicyclo[3.1.0]hexane-6-carboxamide

C6H10N2O — CID 66713019

IUPAC3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESNC(=O)C1C2CNCC21
InChIInChI=1S/C6H10N2O/c7-6(9)5-3-1-8-2-4(3)5/h3-5,8H,1-2H2,(H2,7,9)
InChIKeyGLEUKLIFNNEVEM-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.06
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexane-6-carboxamide

3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 66713019) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID66713019
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESNC(=O)C1C2CNCC21
InChIInChI=1S/C6H10N2O/c7-6(9)5-3-1-8-2-4(3)5/h3-5,8H,1-2H2,(H2,7,9)
InChIKeyGLEUKLIFNNEVEM-UHFFFAOYSA-N
XLogP-1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 66713019) is 3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane-6-carboxamide is NC(=O)C1C2CNCC21.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is GLEUKLIFNNEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-3-1-8-2-4(3)5/h3-5,8H,1-2H2,(H2,7,9).
What are the key properties of 3-azabicyclo[3.1.0]hexane-6-carboxamide?
3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 126.16 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 66713019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).