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

C13H21FN2O — CID 176786716

IUPACN-[(2R)-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)NC(=O)C1CC2(C)CC2N1
InChIInChI=1S/C13H21FN2O/c1-7(2)11(14)8(3)15-12(17)9-5-13(4)6-10(13)16-9/h8-10,16H,5-6H2,1-4H3,(H,15,17)/t8-,9?,10?,13?/m1/s1
InChIKeySAPPEYFIOKNFEI-BHYMURIGSA-N
MW240.32 g/mol
LogP1.89
Rot. Bonds3

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

N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 176786716) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID176786716
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[(2R)-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)NC(=O)C1CC2(C)CC2N1
InChIInChI=1S/C13H21FN2O/c1-7(2)11(14)8(3)15-12(17)9-5-13(4)6-10(13)16-9/h8-10,16H,5-6H2,1-4H3,(H,15,17)/t8-,9?,10?,13?/m1/s1
InChIKeySAPPEYFIOKNFEI-BHYMURIGSA-N
XLogP1.89
TPSA41.13 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 176786716) is N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(2R)-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)NC(=O)C1CC2(C)CC2N1.
What is the InChIKey of N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SAPPEYFIOKNFEI-BHYMURIGSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-7(2)11(14)8(3)15-12(17)9-5-13(4)6-10(13)16-9/h8-10,16H,5-6H2,1-4H3,(H,15,17)/t8-,9?,10?,13?/m1/s1.
What are the key properties of N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[(2R)-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 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 176786716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).