1-(4-methoxybenzoyl)pyrrolidin-2-one

C24H26N2O6 — CID 67930161

IUPAC1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC2=O)cc1.COc1ccc(C(=O)N2CCCC2=O)cc1
InChIInChI=1S/2C12H13NO3/c2*1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h2*4-7H,2-3,8H2,1H3
InChIKeyKAAQTDSZPLGFEE-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-methoxybenzoyl)pyrrolidin-2-one

1-(4-methoxybenzoyl)pyrrolidin-2-one (PubChem CID 67930161) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)pyrrolidin-2-one
PubChem CID67930161
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC2=O)cc1.COc1ccc(C(=O)N2CCCC2=O)cc1
InChIInChI=1S/2C12H13NO3/c2*1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h2*4-7H,2-3,8H2,1H3
InChIKeyKAAQTDSZPLGFEE-UHFFFAOYSA-N
XLogP2.92
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[(Z)-1-bromo-2-(4-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 135004969
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 829246
4-(2-oxoazepane-1-carbonyl)benzoyl chloride
CID 71445417
1-(6-methoxynaphthalene-2-carbonyl)piperidine-2,6-dione
CID 132604473
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
2-[4-(2-oxopyrrolidine-1-carbonyl)phenoxy]ethyl 4-methylbenzenesulfonate
CID 177392529
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
4-(2-oxopiperidine-1-carbonyl)benzonitrile
CID 141391149
1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101320227

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxybenzoyl)pyrrolidin-2-one (CID 67930161) is 1-(4-methoxybenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxybenzoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxybenzoyl)pyrrolidin-2-one is COc1ccc(C(=O)N2CCCC2=O)cc1.COc1ccc(C(=O)N2CCCC2=O)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)pyrrolidin-2-one?
The InChIKey is KAAQTDSZPLGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO3/c2*1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h2*4-7H,2-3,8H2,1H3.
What are the key properties of 1-(4-methoxybenzoyl)pyrrolidin-2-one?
1-(4-methoxybenzoyl)pyrrolidin-2-one has a molecular weight of 438.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 67930161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).