(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C6H10N2O — CID 11506821

IUPAC(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4-,5-/m0/s1
InChIKeyMCEWPPMUTVLMJG-YUPRTTJUSA-N
MW126.16 g/mol
LogP-0.78
Rot. Bonds1

About (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 11506821) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID11506821
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-3-1-4(3)8-5/h3-5,8H,1-2H2,(H2,7,9)/t3-,4-,5-/m0/s1
InChIKeyMCEWPPMUTVLMJG-YUPRTTJUSA-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 (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 11506821) is (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1.
What is the InChIKey of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is MCEWPPMUTVLMJG-YUPRTTJUSA-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)/t3-,4-,5-/m0/s1.
What are the key properties of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,3S,5S)-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 (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 11506821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).