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

C12H18FNO — CID 141383089

IUPACN-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C12H18FNO/c1-7(2)11(13)6-14-12(15)10-4-8-3-9(8)5-10/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyAMSSJSBAGQRULE-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.41
Rot. Bonds3

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

N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 141383089) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID141383089
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C12H18FNO/c1-7(2)11(13)6-14-12(15)10-4-8-3-9(8)5-10/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyAMSSJSBAGQRULE-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,3-trifluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80473946
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
(1R,5S)-3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 164821499
N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
CID 178011158
N-(2,2,2-trifluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80472369
N-(4,4,4-trifluorobutan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 105944119
N-(5,5,5-trifluoropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 113328145
N-(3-amino-2,2-difluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114383701
4,4-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
CID 114618851
N-(2,2-difluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115408807
3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
CID 126787138
(1R)-3,3-difluoro-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
CID 129481915

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 141383089) is N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide is CC(C)=C(F)CNC(=O)C1CC2CC2C1.
What is the InChIKey of N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is AMSSJSBAGQRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-7(2)11(13)6-14-12(15)10-4-8-3-9(8)5-10/h8-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 211.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 141383089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).