1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one

C14H18N2O — CID 142078824

IUPAC1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCC1CNC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C14H18N2O/c1-3-4-12-9-15-14(17)16(10-12)13-7-5-11(2)6-8-13/h3,5-8,12H,1,4,9-10H2,2H3,(H,15,17)
InChIKeyPYIPXDAHRUGZPL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.72
Rot. Bonds3

About 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one

1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one (PubChem CID 142078824) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one
PubChem CID142078824
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCC1CNC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C14H18N2O/c1-3-4-12-9-15-14(17)16(10-12)13-7-5-11(2)6-8-13/h3,5-8,12H,1,4,9-10H2,2H3,(H,15,17)
InChIKeyPYIPXDAHRUGZPL-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
(5S)-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
CID 170628875
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
2-ethenyl-1-(4-methylphenyl)pyrrolidin-3-one
CID 175482679
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 11265602
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
1-[4-(4-methylphenoxy)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670454
S-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667124
[1-[4-(4-methylphenoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673318
2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002769
1-(4-methylphenyl)-4-morpholin-4-ylimidazolidin-2-one
CID 57296766

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one?
The IUPAC name of 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one (CID 142078824) is 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one is C=CCC1CNC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one?
The InChIKey is PYIPXDAHRUGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-12-9-15-14(17)16(10-12)13-7-5-11(2)6-8-13/h3,5-8,12H,1,4,9-10H2,2H3,(H,15,17).
What are the key properties of 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one?
1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-prop-2-enyl-1,3-diazinan-2-one is sourced from PubChem (CID 142078824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).