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

C7H10N2OS — CID 3024866

IUPAC1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CN(C)C1=S
InChIInChI=1S/C7H10N2OS/c1-3-4-9-6(10)5-8(2)7(9)11/h3H,1,4-5H2,2H3
InChIKeyCSOZJWJXTNWDRD-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.23
Rot. Bonds2

About 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3024866) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3024866
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CN(C)C1=S
InChIInChI=1S/C7H10N2OS/c1-3-4-9-6(10)5-8(2)7(9)11/h3H,1,4-5H2,2H3
InChIKeyCSOZJWJXTNWDRD-UHFFFAOYSA-N
XLogP0.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.23
H-Bond Donors ≤ 50
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 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 3024866) is 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)CN(C)C1=S.
What is the InChIKey of 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is CSOZJWJXTNWDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-4-9-6(10)5-8(2)7(9)11/h3H,1,4-5H2,2H3.
What are the key properties of 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3024866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).