3-azabicyclo[3.1.0]hexane-2-carboxamide

C6H10N2O — CID 22253684

IUPAC3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESNC(=O)C1NCC2CC21
InChIInChI=1S/C6H10N2O/c7-6(9)5-4-1-3(4)2-8-5/h3-5,8H,1-2H2,(H2,7,9)
InChIKeyKWAIYQAHLXWVKC-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.92
Rot. Bonds1

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

3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 22253684) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID22253684
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESNC(=O)C1NCC2CC21
InChIInChI=1S/C6H10N2O/c7-6(9)5-4-1-3(4)2-8-5/h3-5,8H,1-2H2,(H2,7,9)
InChIKeyKWAIYQAHLXWVKC-UHFFFAOYSA-N
XLogP-0.92
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 ≤ 5-0.92
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-2-carboxamide?
The IUPAC name of 3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 22253684) is 3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane-2-carboxamide is NC(=O)C1NCC2CC21.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is KWAIYQAHLXWVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-4-1-3(4)2-8-5/h3-5,8H,1-2H2,(H2,7,9).
What are the key properties of 3-azabicyclo[3.1.0]hexane-2-carboxamide?
3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 126.16 g/mol, XLogP of -0.92, 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-2-carboxamide is sourced from PubChem (CID 22253684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).