1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione

C10H13N3O4 — CID 88695518

IUPAC1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESC/C=C\n1c(=O)n(C)c(=O)n(CC2CO2)c1=O
InChIInChI=1S/C10H13N3O4/c1-3-4-12-8(14)11(2)9(15)13(10(12)16)5-7-6-17-7/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeyVZYGUQDGVBBANP-ARJAWSKDSA-N
MW239.23 g/mol
LogP-1.40
Rot. Bonds3

About 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione

1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 88695518) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID88695518
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESC/C=C\n1c(=O)n(C)c(=O)n(CC2CO2)c1=O
InChIInChI=1S/C10H13N3O4/c1-3-4-12-8(14)11(2)9(15)13(10(12)16)5-7-6-17-7/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeyVZYGUQDGVBBANP-ARJAWSKDSA-N
XLogP-1.40
TPSA78.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione (CID 88695518) is 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione is C/C=C\n1c(=O)n(C)c(=O)n(CC2CO2)c1=O.
What is the InChIKey of 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VZYGUQDGVBBANP-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-4-12-8(14)11(2)9(15)13(10(12)16)5-7-6-17-7/h3-4,7H,5-6H2,1-2H3/b4-3-.
What are the key properties of 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione?
1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 239.23 g/mol, XLogP of -1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxiran-2-ylmethyl)-5-[(Z)-prop-1-enyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 88695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).