5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C8H12N2OS — CID 3034733

IUPAC5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(C)(C)NC1=S
InChIInChI=1S/C8H12N2OS/c1-4-5-10-6(11)8(2,3)9-7(10)12/h4H,1,5H2,2-3H3,(H,9,12)
InChIKeySHWHBFYMRFDNDU-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.67
Rot. Bonds2

About 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3034733) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3034733
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(C)(C)NC1=S
InChIInChI=1S/C8H12N2OS/c1-4-5-10-6(11)8(2,3)9-7(10)12/h4H,1,5H2,2-3H3,(H,9,12)
InChIKeySHWHBFYMRFDNDU-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.67
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 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 3034733) is 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(C)(C)NC1=S.
What is the InChIKey of 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SHWHBFYMRFDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-5-10-6(11)8(2,3)9-7(10)12/h4H,1,5H2,2-3H3,(H,9,12).
What are the key properties of 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 184.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3034733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).