N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C12H19FN2O — CID 175937191

IUPACN-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC2(C)CC2N1
InChIInChI=1S/C12H19FN2O/c1-7(2)8(13)6-14-11(16)9-4-12(3)5-10(12)15-9/h9-10,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyJMLCGMHJRBGODL-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.51
Rot. Bonds3

About N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 175937191) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID175937191
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC2(C)CC2N1
InChIInChI=1S/C12H19FN2O/c1-7(2)8(13)6-14-11(16)9-4-12(3)5-10(12)15-9/h9-10,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyJMLCGMHJRBGODL-UHFFFAOYSA-N
XLogP1.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
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
(4,4-dimethylpiperidin-2-yl)-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 141797365
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
5-(Fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853041
(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
N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176786716
(6S)-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 167922784

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 175937191) is N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)=C(F)CNC(=O)C1CC2(C)CC2N1.
What is the InChIKey of N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is JMLCGMHJRBGODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-7(2)8(13)6-14-11(16)9-4-12(3)5-10(12)15-9/h9-10,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 226.29 g/mol, XLogP of 1.51, 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)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 175937191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).