N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide

C13H21FN2O — CID 171817580

IUPACN-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide
SMILESCC1CC(CNC(=O)C2=C(F)CCC2)CN1C
InChIInChI=1S/C13H21FN2O/c1-9-6-10(8-16(9)2)7-15-13(17)11-4-3-5-12(11)14/h9-10H,3-8H2,1-2H3,(H,15,17)
InChIKeyJCMNNJGOGCGEHG-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.85
Rot. Bonds3

About N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide

N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide (PubChem CID 171817580) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide
PubChem CID171817580
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide
SMILESCC1CC(CNC(=O)C2=C(F)CCC2)CN1C
InChIInChI=1S/C13H21FN2O/c1-9-6-10(8-16(9)2)7-15-13(17)11-4-3-5-12(11)14/h9-10H,3-8H2,1-2H3,(H,15,17)
InChIKeyJCMNNJGOGCGEHG-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide
CID 168939309
2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide
CID 130943724
N-[[1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-formylpyrrolidin-3-yl]methyl]-2-fluorocyclopentene-1-carboxamide
CID 171817606
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane
CID 171817554
2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61017183
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
(2R)-4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 67681529
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide (CID 171817580) is N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide is CC1CC(CNC(=O)C2=C(F)CCC2)CN1C.
What is the InChIKey of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide?
The InChIKey is JCMNNJGOGCGEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-9-6-10(8-16(9)2)7-15-13(17)11-4-3-5-12(11)14/h9-10H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide?
N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide has a molecular weight of 240.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide is sourced from PubChem (CID 171817580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).