5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C10H12N2O2S — CID 4011102

IUPAC5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CCC1(C(=C)C)C(=O)NC(=S)NC1=O
InChIInChI=1S/C10H12N2O2S/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4H,1-2,5H2,3H3,(H2,11,12,13,14,15)
InChIKeySSUYWHMIJSBCCK-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.66
Rot. Bonds3

About 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 4011102) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID4011102
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CCC1(C(=C)C)C(=O)NC(=S)NC1=O
InChIInChI=1S/C10H12N2O2S/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4H,1-2,5H2,3H3,(H2,11,12,13,14,15)
InChIKeySSUYWHMIJSBCCK-UHFFFAOYSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 5352735
5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032321
5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione
CID 3032767
sodium;hydride;5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 172995594
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032537
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257
CID 131883130
CID 131883130
5-(cyclohexen-1-yl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032457
5-but-3-en-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033380
5,5-bis(prop-2-enyl)-(2,4,5,6-13C4)1,3-diazinane-2,4,6-trione
CID 76974294
5-[(E)-but-2-enyl]-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5475153
2-methylprop-2-enoic acid;2-sulfanylidene-1,3-diazinane-4,6-dione
CID 88695554

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 4011102) is 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C=CCC1(C(=C)C)C(=O)NC(=S)NC1=O.
What is the InChIKey of 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is SSUYWHMIJSBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4H,1-2,5H2,3H3,(H2,11,12,13,14,15).
What are the key properties of 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 224.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 4011102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).