1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C10H13N3O3 — CID 15322697

IUPAC1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C10H13N3O3/c1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16/h4-5H,1-2,6-7H2,3H3
InChIKeyDCNVZGYDKSZWLE-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.92
Rot. Bonds4

About 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15322697) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15322697
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C10H13N3O3/c1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16/h4-5H,1-2,6-7H2,3H3
InChIKeyDCNVZGYDKSZWLE-UHFFFAOYSA-N
XLogP-0.92
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 15322697) is 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(C)c(=O)n(CC=C)c1=O.
What is the InChIKey of 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DCNVZGYDKSZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-4-6-12-8(14)11(3)9(15)13(7-5-2)10(12)16/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 223.23 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15322697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).