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

C9H14N2O — CID 130878717

IUPAC(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C9H14N2O/c12-9(10-6-1-2-6)8-4-5-3-7(5)11-8/h5-8,11H,1-4H2,(H,10,12)/t5-,7-,8-/m0/s1
InChIKeyHLRXRRYMKHIBKD-GEVIPFJHSA-N
MW166.22 g/mol
LogP0.02
Rot. Bonds2

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

(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 130878717) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID130878717
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C9H14N2O/c12-9(10-6-1-2-6)8-4-5-3-7(5)11-8/h5-8,11H,1-4H2,(H,10,12)/t5-,7-,8-/m0/s1
InChIKeyHLRXRRYMKHIBKD-GEVIPFJHSA-N
XLogP0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 130878717) is (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NC1CC1)[C@@H]1C[C@@H]2C[C@@H]2N1.
What is the InChIKey of (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HLRXRRYMKHIBKD-GEVIPFJHSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9(10-6-1-2-6)8-4-5-3-7(5)11-8/h5-8,11H,1-4H2,(H,10,12)/t5-,7-,8-/m0/s1.
What are the key properties of (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 130878717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).