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

C12H13NO3 — CID 2196

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IUPAC1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
InChIKeyZXNRTKGTQJPIJK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.46
Rot. Bonds2

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

1-(4-methoxybenzoyl)pyrrolidin-2-one (PubChem CID 2196) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)pyrrolidin-2-one
PubChem CID2196
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
InChIKeyZXNRTKGTQJPIJK-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybenzamide
CID 76959
Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-(4-methoxybenzyl)phthalimide
CID 519849
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
3-Pyrrolidinecarboxylic acid, 1-(4-methoxybenzoyl)-2-oxo-4-phenyl-, ethyl ester
CID 2842756
4-(4-Methoxybenzoyl)morpholine
CID 82013
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
4-Methyoxybenzoyl-N-glycine
CID 128847
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N,N-Diethyl-para-anisamide
CID 231459

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 2196) 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.
What is the InChIKey of 1-(4-methoxybenzoyl)pyrrolidin-2-one?
The InChIKey is ZXNRTKGTQJPIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,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 219.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 2196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).