butanamide;4-thiophen-2-ylpyrrolidin-2-one

C12H18N2O2S — CID 142081529

IUPACbutanamide;4-thiophen-2-ylpyrrolidin-2-one
SMILESCCCC(N)=O.O=C1CC(c2cccs2)CN1
InChIInChI=1S/C8H9NOS.C4H9NO/c10-8-4-6(5-9-8)7-2-1-3-11-7;1-2-3-4(5)6/h1-3,6H,4-5H2,(H,9,10);2-3H2,1H3,(H2,5,6)
InChIKeyMZGJXASCZXYNNQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.62
Rot. Bonds3

About butanamide;4-thiophen-2-ylpyrrolidin-2-one

butanamide;4-thiophen-2-ylpyrrolidin-2-one (PubChem CID 142081529) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is butanamide;4-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Namebutanamide;4-thiophen-2-ylpyrrolidin-2-one
PubChem CID142081529
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namebutanamide;4-thiophen-2-ylpyrrolidin-2-one
SMILESCCCC(N)=O.O=C1CC(c2cccs2)CN1
InChIInChI=1S/C8H9NOS.C4H9NO/c10-8-4-6(5-9-8)7-2-1-3-11-7;1-2-3-4(5)6/h1-3,6H,4-5H2,(H,9,10);2-3H2,1H3,(H2,5,6)
InChIKeyMZGJXASCZXYNNQ-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butanamide;4-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of butanamide;4-thiophen-2-ylpyrrolidin-2-one (CID 142081529) is butanamide;4-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for butanamide;4-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for butanamide;4-thiophen-2-ylpyrrolidin-2-one is CCCC(N)=O.O=C1CC(c2cccs2)CN1.
What is the InChIKey of butanamide;4-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is MZGJXASCZXYNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.C4H9NO/c10-8-4-6(5-9-8)7-2-1-3-11-7;1-2-3-4(5)6/h1-3,6H,4-5H2,(H,9,10);2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide;4-thiophen-2-ylpyrrolidin-2-one?
butanamide;4-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 254.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;4-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 142081529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).