2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one

C14H19N3O3 — CID 56609814

IUPAC2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CN(C(=O)C(=C)C)CN(C(=O)C(=C)C)C1
InChIInChI=1S/C14H19N3O3/c1-6-12(18)15-7-16(13(19)10(2)3)9-17(8-15)14(20)11(4)5/h6H,1-2,4,7-9H2,3,5H3
InChIKeyWOADWILVAMYYPL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.70
Rot. Bonds3

About 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one

2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one (PubChem CID 56609814) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one
PubChem CID56609814
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CN(C(=O)C(=C)C)CN(C(=O)C(=C)C)C1
InChIInChI=1S/C14H19N3O3/c1-6-12(18)15-7-16(13(19)10(2)3)9-17(8-15)14(20)11(4)5/h6H,1-2,4,7-9H2,3,5H3
InChIKeyWOADWILVAMYYPL-UHFFFAOYSA-N
XLogP0.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one?
The IUPAC name of 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one (CID 56609814) is 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one is C=CC(=O)N1CN(C(=O)C(=C)C)CN(C(=O)C(=C)C)C1.
What is the InChIKey of 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one?
The InChIKey is WOADWILVAMYYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-6-12(18)15-7-16(13(19)10(2)3)9-17(8-15)14(20)11(4)5/h6H,1-2,4,7-9H2,3,5H3.
What are the key properties of 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one?
2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one has a molecular weight of 277.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylprop-2-enoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]prop-2-en-1-one is sourced from PubChem (CID 56609814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).