(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C12H17FN2O — CID 90020197

IUPAC(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCCC=C1F)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C12H17FN2O/c13-8-3-1-2-4-9(8)15-12(16)11-6-7-5-10(7)14-11/h3,7,9-11,14H,1-2,4-6H2,(H,15,16)/t7-,9?,10-,11+/m1/s1
InChIKeyKMZQZPNEECEQJO-KCIRGCAJSA-N
MW224.28 g/mol
LogP1.26
Rot. Bonds2

About (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 90020197) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID90020197
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCCC=C1F)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C12H17FN2O/c13-8-3-1-2-4-9(8)15-12(16)11-6-7-5-10(7)14-11/h3,7,9-11,14H,1-2,4-6H2,(H,15,16)/t7-,9?,10-,11+/m1/s1
InChIKeyKMZQZPNEECEQJO-KCIRGCAJSA-N
XLogP1.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-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,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 90020197) is (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NC1CCCC=C1F)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is KMZQZPNEECEQJO-KCIRGCAJSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-8-3-1-2-4-9(8)15-12(16)11-6-7-5-10(7)14-11/h3,7,9-11,14H,1-2,4-6H2,(H,15,16)/t7-,9?,10-,11+/m1/s1.
What are the key properties of (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 90020197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).