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

C6H8N2OS — CID 3032418

IUPAC3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CNC1=S
InChIInChI=1S/C6H8N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10)
InChIKeyUVUYSPTYWQXNLX-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.11
Rot. Bonds2

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

3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3032418) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3032418
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CNC1=S
InChIInChI=1S/C6H8N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10)
InChIKeyUVUYSPTYWQXNLX-UHFFFAOYSA-N
XLogP-0.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.11
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 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 3032418) is 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)CNC1=S.
What is the InChIKey of 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UVUYSPTYWQXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10).
What are the key properties of 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 156.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3032418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).