1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one

C20H28FNO3 — CID 20674648

IUPAC1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
SMILESCCC(c1cccc(F)c1)N1CCC(CCCC2(C)OCCO2)C1=O
InChIInChI=1S/C20H28FNO3/c1-3-18(16-6-4-8-17(21)14-16)22-11-9-15(19(22)23)7-5-10-20(2)24-12-13-25-20/h4,6,8,14-15,18H,3,5,7,9-13H2,1-2H3
InChIKeyZWCWKBRHMDPRCT-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.06
Rot. Bonds7

About 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one

1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one (PubChem CID 20674648) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
PubChem CID20674648
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
SMILESCCC(c1cccc(F)c1)N1CCC(CCCC2(C)OCCO2)C1=O
InChIInChI=1S/C20H28FNO3/c1-3-18(16-6-4-8-17(21)14-16)22-11-9-15(19(22)23)7-5-10-20(2)24-12-13-25-20/h4,6,8,14-15,18H,3,5,7,9-13H2,1-2H3
InChIKeyZWCWKBRHMDPRCT-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one with MolForge

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Related Compounds

(R)-1-(7-(2-fluorobenzyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pent-4-en-1-one
CID 122361311
3(S)-(3-Fluorophenyl)-3-(3-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-2-oxo-pyrrolidin-1-yl)-propionic acid ethyl ester
CID 15453760
3(S)-(3-Fluorophenyl)-3-[2-oxo-3-(4-oxo-pentyl)-pyrrolidin-1-yl]-propionic acid ethyl ester
CID 15453761
Ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate
CID 57176154
1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-one
CID 59951846
1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
CID 59963910
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
CID 67316551
1-O-tert-butyl 3-O-ethyl (2S,3S)-2-(4-fluoro-2-methylphenyl)pyrrolidine-1,3-dicarboxylate
CID 69248756
1-O-tert-butyl 3-O-ethyl 2-(4-fluoro-2-methylphenyl)pyrrolidine-1,3-dicarboxylate
CID 69248759
Ethyl 3-(3-fluorophenyl)-3-[3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxopiperidin-1-yl]propanoate
CID 69711151
3(S)-(3-Fluoro-phenyl)-3-{2-oxo-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-piperidin-1-yl}-propionic acid ethyl ester
CID 69711153
Ethyl 3-(3-fluorophenyl)-3-[3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate
CID 70232712

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one (CID 20674648) is 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one is CCC(c1cccc(F)c1)N1CCC(CCCC2(C)OCCO2)C1=O.
What is the InChIKey of 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is ZWCWKBRHMDPRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c1-3-18(16-6-4-8-17(21)14-16)22-11-9-15(19(22)23)7-5-10-20(2)24-12-13-25-20/h4,6,8,14-15,18H,3,5,7,9-13H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one?
1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one has a molecular weight of 349.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 20674648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).