N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide

C11H19FN2O — CID 156837561

IUPACN-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC(C)CN1
InChIInChI=1S/C11H19FN2O/c1-7(2)9(12)6-14-11(15)10-4-8(3)5-13-10/h8,10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyRHIWLYQUEZPSKC-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.36
Rot. Bonds3

About N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide

N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 156837561) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
PubChem CID156837561
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC NameN-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide
SMILESCC(C)=C(F)CNC(=O)C1CC(C)CN1
InChIInChI=1S/C11H19FN2O/c1-7(2)9(12)6-14-11(15)10-4-8(3)5-13-10/h8,10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyRHIWLYQUEZPSKC-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
(2S,3S,4S)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)-3-methoxypyrrolidine-2-carboxamide
CID 141383088
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
CID 147463396
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 131160678
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide (CID 156837561) is N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide is CC(C)=C(F)CNC(=O)C1CC(C)CN1.
What is the InChIKey of N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is RHIWLYQUEZPSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-7(2)9(12)6-14-11(15)10-4-8(3)5-13-10/h8,10,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide?
N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 214.28 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 N-(2-fluoro-3-methylbut-2-enyl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 156837561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).