4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one

C14H19NOS — CID 168683619

IUPAC4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(CCC)c2cccs2)C1
InChIInChI=1S/C14H19NOS/c1-3-6-12(13-7-5-8-17-13)15-10-11(4-2)9-14(15)16/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3
InChIKeyLIXJWZSEYDMZRT-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.62
Rot. Bonds5

About 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one

4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one (PubChem CID 168683619) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
PubChem CID168683619
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(CCC)c2cccs2)C1
InChIInChI=1S/C14H19NOS/c1-3-6-12(13-7-5-8-17-13)15-10-11(4-2)9-14(15)16/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3
InChIKeyLIXJWZSEYDMZRT-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxylic acid
CID 54962875
1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966347
3-methyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966450
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966476
4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one
CID 168506589
N-propyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-3-amine
CID 54962549
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966335
3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64966321
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738480

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one (CID 168683619) is 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one is C=CC1CC(=O)N(C(CCC)c2cccs2)C1.
What is the InChIKey of 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one?
The InChIKey is LIXJWZSEYDMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-6-12(13-7-5-8-17-13)15-10-11(4-2)9-14(15)16/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3.
What are the key properties of 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one?
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one has a molecular weight of 249.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 168683619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).