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

C13H21FN2O — CID 156837437

IUPAC(1R,3S,5R)-N-[(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)[C@@H]1C[C@@]2(C)C[C@H]2N1
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-COMAGPEQSA-N
MW240.32 g/mol
LogP1.89
Rot. Bonds3

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

(1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 156837437) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is (1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID156837437
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name(1R,3S,5R)-N-[(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)[C@@H]1C[C@@]2(C)C[C@H]2N1
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-COMAGPEQSA-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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Related Compounds

(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-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-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
N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 151811015
1-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456737
(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 156837558
(1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]heptane-3-carboxamide
CID 156837578
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 156837616
N-(2-fluoro-3-methylbut-2-enyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175937191
(1R,2S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 176786620

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (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) is (1R,3S,5R)-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 (1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-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)[C@@H]1C[C@@]2(C)C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SAPPEYFIOKNFEI-COMAGPEQSA-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 (1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-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 (1R,3S,5R)-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 156837437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).