1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one

C16H15NO3S — CID 81121521

IUPAC1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one
SMILESCOc1ccsc1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H15NO3S/c1-20-13-8-10-21-16(13)15(19)11-4-6-12(7-5-11)17-9-2-3-14(17)18/h4-8,10H,2-3,9H2,1H3
InChIKeyLXXSGTDRFAZSOQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 81121521) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID81121521
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one
SMILESCOc1ccsc1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H15NO3S/c1-20-13-8-10-21-16(13)15(19)11-4-6-12(7-5-11)17-9-2-3-14(17)18/h4-8,10H,2-3,9H2,1H3
InChIKeyLXXSGTDRFAZSOQ-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one
CID 79685754
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-methoxy-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 134040883
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one (CID 81121521) is 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one is COc1ccsc1C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is LXXSGTDRFAZSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-13-8-10-21-16(13)15(19)11-4-6-12(7-5-11)17-9-2-3-14(17)18/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 81121521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).