1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C8H10N2O3 — CID 130016364

IUPAC1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O3/c1-3-4-5-6(11)9-8(13)10(2)7(5)12/h3,5H,1,4H2,2H3,(H,9,11,13)
InChIKeyPBSLBBVJAMDTMY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.11
Rot. Bonds2

About 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 130016364) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID130016364
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O3/c1-3-4-5-6(11)9-8(13)10(2)7(5)12/h3,5H,1,4H2,2H3,(H,9,11,13)
InChIKeyPBSLBBVJAMDTMY-UHFFFAOYSA-N
XLogP-0.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 17376
5-Allyl-5-isopropyl-1-methylbarbituric acid
CID 95636
Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-
CID 48772
1-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 13074
1,3,5-Tri(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
CID 3025641
Barbituric acid, 5-ethyl-5-vinyl-
CID 49289
Barbituric acid, 5-(1-butenyl)-5-isopropyl-1-methyl-
CID 6434957
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(2-
CID 23273698
Barbituric acid, 1-butyl-5,5-diallyl-
CID 141563
Vinylethylbarbituric
CID 117906622
Isopropylallylbarbitursaure
CID 129633973
N,5-Diallylbarbituric acid
CID 3026948

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 130016364) is 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PBSLBBVJAMDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-4-5-6(11)9-8(13)10(2)7(5)12/h3,5H,1,4H2,2H3,(H,9,11,13).
What are the key properties of 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 182.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 130016364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).