1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

C17H23FN2O — CID 119793879

IUPAC1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESCC1CC(c2cccc(F)c2)N(C(=O)CC2CCCN2)C1
InChIInChI=1S/C17H23FN2O/c1-12-8-16(13-4-2-5-14(18)9-13)20(11-12)17(21)10-15-6-3-7-19-15/h2,4-5,9,12,15-16,19H,3,6-8,10-11H2,1H3
InChIKeyAGULVHPCAAFIAS-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.88
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119793879) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119793879
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESCC1CC(c2cccc(F)c2)N(C(=O)CC2CCCN2)C1
InChIInChI=1S/C17H23FN2O/c1-12-8-16(13-4-2-5-14(18)9-13)20(11-12)17(21)10-15-6-3-7-19-15/h2,4-5,9,12,15-16,19H,3,6-8,10-11H2,1H3
InChIKeyAGULVHPCAAFIAS-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119793865
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119770443
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747
(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 119329386
1-[2-[(2S,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129469988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119793879) is 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is CC1CC(c2cccc(F)c2)N(C(=O)CC2CCCN2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is AGULVHPCAAFIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-12-8-16(13-4-2-5-14(18)9-13)20(11-12)17(21)10-15-6-3-7-19-15/h2,4-5,9,12,15-16,19H,3,6-8,10-11H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 290.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119793879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).