1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C21H24N2O5 — CID 110424641

IUPAC1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(c4ccco4)C3)CC2=O)cc1OC
InChIInChI=1S/C21H24N2O5/c1-26-18-6-5-16(11-19(18)27-2)23-13-15(10-20(23)24)21(25)22-8-7-14(12-22)17-4-3-9-28-17/h3-6,9,11,14-15H,7-8,10,12-13H2,1-2H3
InChIKeyZHIQWVZGLWKISK-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.67
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110424641) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110424641
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(c4ccco4)C3)CC2=O)cc1OC
InChIInChI=1S/C21H24N2O5/c1-26-18-6-5-16(11-19(18)27-2)23-13-15(10-20(23)24)21(25)22-8-7-14(12-22)17-4-3-9-28-17/h3-6,9,11,14-15H,7-8,10,12-13H2,1-2H3
InChIKeyZHIQWVZGLWKISK-UHFFFAOYSA-N
XLogP2.67
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004
N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 46576773
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149870
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(3,4-dimethoxyphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56572578
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
N-(1,3-benzodioxol-5-yl)-1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 43057084
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119412742
1-(3,4-dimethoxyphenyl)-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624484
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508
1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110421848

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 110424641) is 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCC(c4ccco4)C3)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZHIQWVZGLWKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-18-6-5-16(11-19(18)27-2)23-13-15(10-20(23)24)21(25)22-8-7-14(12-22)17-4-3-9-28-17/h3-6,9,11,14-15H,7-8,10,12-13H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 384.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110424641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).