4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one

C10H17NOS — CID 103074055

IUPAC4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
SMILESC=C(CS)CN1CC(CC)CC1=O
InChIInChI=1S/C10H17NOS/c1-3-9-4-10(12)11(6-9)5-8(2)7-13/h9,13H,2-7H2,1H3
InChIKeyDKLIPMUCHFGFPT-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.73
Rot. Bonds4

About 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one

4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one (PubChem CID 103074055) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
PubChem CID103074055
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
SMILESC=C(CS)CN1CC(CC)CC1=O
InChIInChI=1S/C10H17NOS/c1-3-9-4-10(12)11(6-9)5-8(2)7-13/h9,13H,2-7H2,1H3
InChIKeyDKLIPMUCHFGFPT-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methyl-2-sulfanylpentyl)pyrrolidin-2-one
CID 141416651
1-Methyl-4-(1-sulfanylethyl)pyrrolidin-2-one
CID 143964329
1-(3-Methyl-5-sulfanylpentyl)pyrrolidin-2-one
CID 80013756
4-Methyl-1-(3-methyl-5-sulfanylpentyl)pyrrolidin-2-one
CID 80032036
4-Methyl-1-(5-sulfanylpentyl)pyrrolidin-2-one
CID 80032037
4-Ethyl-1-(5-sulfanylpentyl)pyrrolidin-2-one
CID 80172759
4-Ethyl-1-(2-methyl-3-sulfanylpropyl)pyrrolidin-2-one
CID 80172854
4-Ethyl-1-(4-sulfanylbutyl)pyrrolidin-2-one
CID 80172855
4-Ethyl-1-(3-methyl-5-sulfanylpentyl)pyrrolidin-2-one
CID 80172952
4-Ethyl-1-(3-sulfanylpropyl)pyrrolidin-2-one
CID 80172953
4-Ethyl-1-(2-sulfanylethyl)pyrrolidin-2-one
CID 80173053
1-(2,2-Dimethyl-3-sulfanylpropyl)-4-ethylpyrrolidin-2-one
CID 80173240

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one?
The IUPAC name of 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one (CID 103074055) is 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one is C=C(CS)CN1CC(CC)CC1=O.
What is the InChIKey of 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one?
The InChIKey is DKLIPMUCHFGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-9-4-10(12)11(6-9)5-8(2)7-13/h9,13H,2-7H2,1H3.
What are the key properties of 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one?
4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one has a molecular weight of 199.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 103074055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).