2-azabicyclo[3.1.0]hexane-3-carboxamide

C6H10N2O — CID 21094662

IUPAC2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2N1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)
InChIKeyMCEWPPMUTVLMJG-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.78
Rot. Bonds1

About 2-azabicyclo[3.1.0]hexane-3-carboxamide

2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 21094662) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID21094662
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2N1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)
InChIKeyMCEWPPMUTVLMJG-UHFFFAOYSA-N
XLogP-0.78
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 ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 21094662) is 2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2N1.
What is the InChIKey of 2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is MCEWPPMUTVLMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9).
What are the key properties of 2-azabicyclo[3.1.0]hexane-3-carboxamide?
2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 126.16 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 21094662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).