1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone

C23H30FNO2 — CID 130328371

IUPAC1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone
SMILESCC(=O)C1(C(=O)N2CCC(CCc3ccc(F)cc3C3CCCC3)C2)CC1
InChIInChI=1S/C23H30FNO2/c1-16(26)23(11-12-23)22(27)25-13-10-17(15-25)6-7-19-8-9-20(24)14-21(19)18-4-2-3-5-18/h8-9,14,17-18H,2-7,10-13,15H2,1H3
InChIKeyNFXCXFOODIKSTL-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.63
Rot. Bonds6

About 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone

1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone (PubChem CID 130328371) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone
PubChem CID130328371
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone
SMILESCC(=O)C1(C(=O)N2CCC(CCc3ccc(F)cc3C3CCCC3)C2)CC1
InChIInChI=1S/C23H30FNO2/c1-16(26)23(11-12-23)22(27)25-13-10-17(15-25)6-7-19-8-9-20(24)14-21(19)18-4-2-3-5-18/h8-9,14,17-18H,2-7,10-13,15H2,1H3
InChIKeyNFXCXFOODIKSTL-UHFFFAOYSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-7-(1-fluorocyclopropanecarbonyl)-2-methyl-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 129552361
1-Acetyl-3-ethyl-6,6-bis(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 135067206
3-[2-(3-Fluoro-4-propan-2-ylphenyl)acetyl]-1-methylpyrrolidin-2-one
CID 58286902
1-[1-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]butane-1,3-dione
CID 91231955
N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
CID 91528004
1-[3-[2-(2-Cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 130338499
[2-[2-(2,6-Difluorophenyl)phenyl]-3-methylcyclopropyl]-pyrrolidin-1-ylmethanone
CID 169240111
[2-[2-(2,6-Difluorophenyl)phenyl]-1-methylcyclopropyl]-pyrrolidin-1-ylmethanone
CID 170294184
[3-[2-(2,6-Difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone
CID 170294368
[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 174141654
3-[2-(2,4-Difluorophenyl)acetyl]-1,3-dimethylpyrrolidin-2-one
CID 178447411
3-[2-(2-Fluorophenyl)acetyl]-1,3-dimethylpyrrolidin-2-one
CID 178447430

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone (CID 130328371) is 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone is CC(=O)C1(C(=O)N2CCC(CCc3ccc(F)cc3C3CCCC3)C2)CC1.
What is the InChIKey of 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone?
The InChIKey is NFXCXFOODIKSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-16(26)23(11-12-23)22(27)25-13-10-17(15-25)6-7-19-8-9-20(24)14-21(19)18-4-2-3-5-18/h8-9,14,17-18H,2-7,10-13,15H2,1H3.
What are the key properties of 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone?
1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone has a molecular weight of 371.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]pyrrolidine-1-carbonyl]cyclopropyl]ethanone is sourced from PubChem (CID 130328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).