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

C12H19FN2O — CID 156837558

IUPAC(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCC(C)=C(F)[C@@H](C)NC(=O)[C@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C12H19FN2O/c1-6(2)10(13)7(3)15-12(16)11-9-4-8(9)5-14-11/h7-9,11,14H,4-5H2,1-3H3,(H,15,16)/t7-,8-,9-,11+/m1/s1
InChIKeyVXVPBCSWSQLOLJ-CDLYGTGVSA-N
MW226.29 g/mol
LogP1.36
Rot. Bonds3

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

(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 156837558) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID156837558
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCC(C)=C(F)[C@@H](C)NC(=O)[C@H]1NC[C@H]2C[C@H]21
InChIInChI=1S/C12H19FN2O/c1-6(2)10(13)7(3)15-12(16)11-9-4-8(9)5-14-11/h7-9,11,14H,4-5H2,1-3H3,(H,15,16)/t7-,8-,9-,11+/m1/s1
InChIKeyVXVPBCSWSQLOLJ-CDLYGTGVSA-N
XLogP1.36
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 ≤ 51.36
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
(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
N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide
CID 156837507
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
(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
tert-butyl (1R,2S,5S)-2-[[(2S)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 176786670

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 156837558) is (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC(C)=C(F)[C@@H](C)NC(=O)[C@H]1NC[C@H]2C[C@H]21.
What is the InChIKey of (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is VXVPBCSWSQLOLJ-CDLYGTGVSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-6(2)10(13)7(3)15-12(16)11-9-4-8(9)5-14-11/h7-9,11,14H,4-5H2,1-3H3,(H,15,16)/t7-,8-,9-,11+/m1/s1.
What are the key properties of (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 226.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 156837558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).