1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C13H21FN2O — CID 153456737

IUPAC1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)[C@@H](C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C13H21FN2O/c1-7(2)10(14)8(3)13-6-12(13,4)5-9(16-13)11(15)17/h8-9,16H,5-6H2,1-4H3,(H2,15,17)/t8-,9?,12?,13?/m1/s1
InChIKeyVUJKZCQVLKDZMR-PVIHBSMPSA-N
MW240.32 g/mol
LogP1.88
Rot. Bonds3

About 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 153456737) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID153456737
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)[C@@H](C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C13H21FN2O/c1-7(2)10(14)8(3)13-6-12(13,4)5-9(16-13)11(15)17/h8-9,16H,5-6H2,1-4H3,(H2,15,17)/t8-,9?,12?,13?/m1/s1
InChIKeyVUJKZCQVLKDZMR-PVIHBSMPSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-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

Related Compounds

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,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
1-[(2S)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456620
1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456647
1-[(2S)-hexan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456760
1-[(2R)-butan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167316729
1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167316773
1-(3,3-Dimethylbutyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853043

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 153456737) is 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)=C(F)[C@@H](C)C12CC1(C)CC(C(N)=O)N2.
What is the InChIKey of 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is VUJKZCQVLKDZMR-PVIHBSMPSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-7(2)10(14)8(3)13-6-12(13,4)5-9(16-13)11(15)17/h8-9,16H,5-6H2,1-4H3,(H2,15,17)/t8-,9?,12?,13?/m1/s1.
What are the key properties of 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 240.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 153456737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).