3-prop-2-enylsulfanyl-1H-imidazol-2-one

C6H8N2OS — CID 173462332

IUPAC3-prop-2-enylsulfanyl-1H-imidazol-2-one
SMILESC=CCSn1cc[nH]c1=O
InChIInChI=1S/C6H8N2OS/c1-2-5-10-8-4-3-7-6(8)9/h2-4H,1,5H2,(H,7,9)
InChIKeyUPGLLAWXGVMPIX-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.86
Rot. Bonds3

About 3-prop-2-enylsulfanyl-1H-imidazol-2-one

3-prop-2-enylsulfanyl-1H-imidazol-2-one (PubChem CID 173462332) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-prop-2-enylsulfanyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-prop-2-enylsulfanyl-1H-imidazol-2-one
PubChem CID173462332
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-prop-2-enylsulfanyl-1H-imidazol-2-one
SMILESC=CCSn1cc[nH]c1=O
InChIInChI=1S/C6H8N2OS/c1-2-5-10-8-4-3-7-6(8)9/h2-4H,1,5H2,(H,7,9)
InChIKeyUPGLLAWXGVMPIX-UHFFFAOYSA-N
XLogP0.86
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanyl-1H-imidazol-2-one?
The IUPAC name of 3-prop-2-enylsulfanyl-1H-imidazol-2-one (CID 173462332) is 3-prop-2-enylsulfanyl-1H-imidazol-2-one.
What is the SMILES notation for 3-prop-2-enylsulfanyl-1H-imidazol-2-one?
The canonical SMILES for 3-prop-2-enylsulfanyl-1H-imidazol-2-one is C=CCSn1cc[nH]c1=O.
What is the InChIKey of 3-prop-2-enylsulfanyl-1H-imidazol-2-one?
The InChIKey is UPGLLAWXGVMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-5-10-8-4-3-7-6(8)9/h2-4H,1,5H2,(H,7,9).
What are the key properties of 3-prop-2-enylsulfanyl-1H-imidazol-2-one?
3-prop-2-enylsulfanyl-1H-imidazol-2-one has a molecular weight of 156.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanyl-1H-imidazol-2-one is sourced from PubChem (CID 173462332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).