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

C14H18N2O3 — CID 3065038

IUPAC1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(C)C(=O)C(CC=C)(CC=C)C1=O
InChIInChI=1S/C14H18N2O3/c1-5-8-14(9-6-2)11(17)15(4)13(19)16(10-7-3)12(14)18/h5-7H,1-3,8-10H2,4H3
InChIKeyNLAXKCOUBCNHHZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.73
Rot. Bonds6

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

1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3065038) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID3065038
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(C)C(=O)C(CC=C)(CC=C)C1=O
InChIInChI=1S/C14H18N2O3/c1-5-8-14(9-6-2)11(17)15(4)13(19)16(10-7-3)12(14)18/h5-7H,1-3,8-10H2,4H3
InChIKeyNLAXKCOUBCNHHZ-UHFFFAOYSA-N
XLogP1.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 3065038) is 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)N(C)C(=O)C(CC=C)(CC=C)C1=O.
What is the InChIKey of 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NLAXKCOUBCNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-8-14(9-6-2)11(17)15(4)13(19)16(10-7-3)12(14)18/h5-7H,1-3,8-10H2,4H3.
What are the key properties of 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 262.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3065038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).