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

C12H17FN2O — CID 123186551

IUPACN-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCCC=C1F)C1CC2CC2N1
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)
InChIKeyKMZQZPNEECEQJO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.26
Rot. Bonds2

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

N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123186551) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123186551
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCCC=C1F)C1CC2CC2N1
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)
InChIKeyKMZQZPNEECEQJO-UHFFFAOYSA-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

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Related Compounds

N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
tert-butyl (1R,3S,5R)-3-[(2-fluorocyclohex-2-en-1-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90019841
(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020197
(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123708450
N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123943746
(1R,3S)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130256950
N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 151811015
(1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837437
(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 156837558
(1R,2S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 176786620
(1R,3S,5R)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176786641

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123186551) is N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NC1CCCC=C1F)C1CC2CC2N1.
What is the InChIKey of N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is KMZQZPNEECEQJO-UHFFFAOYSA-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).
What are the key properties of N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
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 N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123186551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).