N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H17FN2O — CID 123943746

IUPACN-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC2CC2N1
InChIInChI=1S/C11H17FN2O/c1-6(2)8(12)5-13-11(15)10-4-7-3-9(7)14-10/h7,9-10,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyYEHBMVWLDWLZGY-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.12
Rot. Bonds3

About N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123943746) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123943746
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC2CC2N1
InChIInChI=1S/C11H17FN2O/c1-6(2)8(12)5-13-11(15)10-4-7-3-9(7)14-10/h7,9-10,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyYEHBMVWLDWLZGY-UHFFFAOYSA-N
XLogP1.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5R)-3-(2-Fluoro-3-methyl-but-2-enylcarbamoyl)-2-aza-bicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
CID 90019875
(1R,3S,5R)-N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020197
(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020449
(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
N-(2-fluorocyclohex-2-en-1-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123186551
N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123654014
N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123708450
(1R,3S)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130256950
(1R,3S,5R)-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2,2-difluoro-cyclohexyl)-amide hydrochloride
CID 131742546
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-methyl-but-2-enyl)-amide trifluoroacetate
CID 131744298
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123943746) is N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)=C(F)CNC(=O)C1CC2CC2N1.
What is the InChIKey of N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YEHBMVWLDWLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-6(2)8(12)5-13-11(15)10-4-7-3-9(7)14-10/h7,9-10,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123943746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).