(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H17FN2O — CID 90020531

IUPAC(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H17FN2O/c1-6(2)8(12)5-13-11(15)10-4-7-3-9(7)14-10/h7,9-10,14H,3-5H2,1-2H3,(H,13,15)/t7-,9-,10+/m1/s1
InChIKeyYEHBMVWLDWLZGY-QNSHHTMESA-N
MW212.27 g/mol
LogP1.12
Rot. Bonds3

About (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 90020531) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID90020531
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C11H17FN2O/c1-6(2)8(12)5-13-11(15)10-4-7-3-9(7)14-10/h7,9-10,14H,3-5H2,1-2H3,(H,13,15)/t7-,9-,10+/m1/s1
InChIKeyYEHBMVWLDWLZGY-QNSHHTMESA-N
XLogP1.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

(1R,3S,5R)-N-[(E)-2-fluoro-3-phenylbut-2-enyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175706363
(1S,3S,5S)-N-(2,2,2-trifluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131043154
N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
CID 156837561
N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459721
(1S,3S,5S)-N-(cyclobutylmethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131008534
(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130878717
(2S,3S,4S)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)-3-methoxypyrrolidine-2-carboxamide
CID 141383088
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 43811016
(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134343960
N-[2-(tert-butylamino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43515209
tert-butyl N-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]carbamate
CID 69230175
(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131065859

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 90020531) is (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YEHBMVWLDWLZGY-QNSHHTMESA-N. The full InChI is InChI=1S/C11H17FN2O/c1-6(2)8(12)5-13-11(15)10-4-7-3-9(7)14-10/h7,9-10,14H,3-5H2,1-2H3,(H,13,15)/t7-,9-,10+/m1/s1.
What are the key properties of (1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 1.12, 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-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 90020531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).