5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C10H16N2OS — CID 2901579

IUPAC5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(CCCC)NC1=S
InChIInChI=1S/C10H16N2OS/c1-3-5-6-8-9(13)12(7-4-2)10(14)11-8/h4,8H,2-3,5-7H2,1H3,(H,11,14)
InChIKeyODHVRFSUUJZFNT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.45
Rot. Bonds5

About 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2901579) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2901579
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(CCCC)NC1=S
InChIInChI=1S/C10H16N2OS/c1-3-5-6-8-9(13)12(7-4-2)10(14)11-8/h4,8H,2-3,5-7H2,1H3,(H,11,14)
InChIKeyODHVRFSUUJZFNT-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 2901579) is 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(CCCC)NC1=S.
What is the InChIKey of 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ODHVRFSUUJZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-5-6-8-9(13)12(7-4-2)10(14)11-8/h4,8H,2-3,5-7H2,1H3,(H,11,14).
What are the key properties of 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2901579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).