N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide

C12H21FN2O — CID 156837507

IUPACN-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide
SMILESCC(C)=C(F)C(C)NC(=O)C1CC(C)CN1
InChIInChI=1S/C12H21FN2O/c1-7(2)11(13)9(4)15-12(16)10-5-8(3)6-14-10/h8-10,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyRUMUADFAFXAHGU-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.75
Rot. Bonds3

About N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide

N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 156837507) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide
PubChem CID156837507
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide
SMILESCC(C)=C(F)C(C)NC(=O)C1CC(C)CN1
InChIInChI=1S/C12H21FN2O/c1-7(2)11(13)9(4)15-12(16)10-5-8(3)6-14-10/h8-10,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyRUMUADFAFXAHGU-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 70334851
(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
CID 70335154
(8S,9aS)-3,4-diethyl-8-fluoro-2,5,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 70667284
(2S,4S)-4-fluoro-N-[(4E)-4,5,7-trimethyl-3-propylocta-4,6-dienyl]pyrrolidine-2-carboxamide
CID 89770645
(8S,9aS)-4-ethyl-8-fluoro-3-methyl-2,5,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 121419543
(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 126622920
(2S,4R)-4-fluoro-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
CID 126623038
(2S,4R)-4-fluoro-2-[[(2S)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 126623347
(2S,4R)-4-fluoro-2-[(3-fluoro-4-methylpent-3-en-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126623348
(2S,4R)-4-fluoro-2-[[(2R)-3-fluoro-4-methylpent-3-en-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 126623372

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide (CID 156837507) is N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide is CC(C)=C(F)C(C)NC(=O)C1CC(C)CN1.
What is the InChIKey of N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is RUMUADFAFXAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-7(2)11(13)9(4)15-12(16)10-5-8(3)6-14-10/h8-10,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide?
N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 228.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylpent-3-en-2-yl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 156837507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).