(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C9H16N2O — CID 59235764

IUPAC(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCCC1(C)[C@@H]2[C@@H](C(N)=O)NC[C@@H]21
InChIInChI=1S/C9H16N2O/c1-3-9(2)5-4-11-7(6(5)9)8(10)12/h5-7,11H,3-4H2,1-2H3,(H2,10,12)/t5-,6-,7-,9?/m0/s1
InChIKeyVTXQDXBOBARLRU-CPEWBEJHSA-N
MW168.24 g/mol
LogP0.11
Rot. Bonds2

About (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 59235764) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID59235764
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCCC1(C)[C@@H]2[C@@H](C(N)=O)NC[C@@H]21
InChIInChI=1S/C9H16N2O/c1-3-9(2)5-4-11-7(6(5)9)8(10)12/h5-7,11H,3-4H2,1-2H3,(H2,10,12)/t5-,6-,7-,9?/m0/s1
InChIKeyVTXQDXBOBARLRU-CPEWBEJHSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 59235764) is (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CCC1(C)[C@@H]2[C@@H](C(N)=O)NC[C@@H]21.
What is the InChIKey of (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is VTXQDXBOBARLRU-CPEWBEJHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(2)5-4-11-7(6(5)9)8(10)12/h5-7,11H,3-4H2,1-2H3,(H2,10,12)/t5-,6-,7-,9?/m0/s1.
What are the key properties of (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 59235764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).