1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one

C19H23NO3 — CID 110421523

IUPAC1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(C(C)CC(=O)N2CCC(c3ccco3)C2)cc1
InChIInChI=1S/C19H23NO3/c1-14(15-5-7-17(22-2)8-6-15)12-19(21)20-10-9-16(13-20)18-4-3-11-23-18/h3-8,11,14,16H,9-10,12-13H2,1-2H3
InChIKeyWNVXXZAMPXLCDD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.80
Rot. Bonds5

About 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one

1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one (PubChem CID 110421523) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
PubChem CID110421523
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(C(C)CC(=O)N2CCC(c3ccco3)C2)cc1
InChIInChI=1S/C19H23NO3/c1-14(15-5-7-17(22-2)8-6-15)12-19(21)20-10-9-16(13-20)18-4-3-11-23-18/h3-8,11,14,16H,9-10,12-13H2,1-2H3
InChIKeyWNVXXZAMPXLCDD-UHFFFAOYSA-N
XLogP3.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 97033127
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 71922615
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
CID 119380064
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870
3-(4-methoxyphenyl)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110305830
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110308401
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one (CID 110421523) is 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one is COc1ccc(C(C)CC(=O)N2CCC(c3ccco3)C2)cc1.
What is the InChIKey of 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one?
The InChIKey is WNVXXZAMPXLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(15-5-7-17(22-2)8-6-15)12-19(21)20-10-9-16(13-20)18-4-3-11-23-18/h3-8,11,14,16H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one?
1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 110421523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).