2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one

C15H17NO3 — CID 134999445

IUPAC2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one
SMILESCOc1ccc(N2CCCC2C2C=CC(=O)O2)cc1
InChIInChI=1S/C15H17NO3/c1-18-12-6-4-11(5-7-12)16-10-2-3-13(16)14-8-9-15(17)19-14/h4-9,13-14H,2-3,10H2,1H3
InChIKeyVQFUQFRNBZUHLX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one

2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one (PubChem CID 134999445) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one
PubChem CID134999445
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one
SMILESCOc1ccc(N2CCCC2C2C=CC(=O)O2)cc1
InChIInChI=1S/C15H17NO3/c1-18-12-6-4-11(5-7-12)16-10-2-3-13(16)14-8-9-15(17)19-14/h4-9,13-14H,2-3,10H2,1H3
InChIKeyVQFUQFRNBZUHLX-UHFFFAOYSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
(4aS,8aR)-4-(4-methoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675892
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
4-(4-methoxyphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571347
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrobromide
CID 21126912
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010770
4-cyclohexyl-1-(4-methoxyphenyl)azetidin-2-one
CID 10999789
(3S,6R,12S,15R)-3-[(4-methoxyphenyl)methyl]-12-methyl-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
CID 132962147
2-[bis(4-methoxyphenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 119033787

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one?
The IUPAC name of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one (CID 134999445) is 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one?
The canonical SMILES for 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one is COc1ccc(N2CCCC2C2C=CC(=O)O2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one?
The InChIKey is VQFUQFRNBZUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-12-6-4-11(5-7-12)16-10-2-3-13(16)14-8-9-15(17)19-14/h4-9,13-14H,2-3,10H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one?
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one has a molecular weight of 259.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]-2H-furan-5-one is sourced from PubChem (CID 134999445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).