5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C18H24N2O4 — CID 70595524

IUPAC5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCCC3)CC(=O)N2C)cc1OC
InChIInChI=1S/C18H24N2O4/c1-19-16(21)11-13(18(22)20-8-4-5-9-20)17(19)12-6-7-14(23-2)15(10-12)24-3/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3
InChIKeyWSLCLIZKDOURRJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.85
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 70595524) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID70595524
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCCC3)CC(=O)N2C)cc1OC
InChIInChI=1S/C18H24N2O4/c1-19-16(21)11-13(18(22)20-8-4-5-9-20)17(19)12-6-7-14(23-2)15(10-12)24-3/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3
InChIKeyWSLCLIZKDOURRJ-UHFFFAOYSA-N
XLogP1.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 70595524) is 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is COc1ccc(C2C(C(=O)N3CCCC3)CC(=O)N2C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is WSLCLIZKDOURRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-16(21)11-13(18(22)20-8-4-5-9-20)17(19)12-6-7-14(23-2)15(10-12)24-3/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 70595524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).