5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C15H20N2O3 — CID 78092281

IUPAC5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=CC=CC2CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyACFZAWOYPBKLLN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds2

About 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 78092281) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID78092281
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=CC=CC2CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyACFZAWOYPBKLLN-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione 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 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 78092281) is 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=CC=CC2CCCCC2)C(=O)N(C)C1=O.
What is the InChIKey of 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ACFZAWOYPBKLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 276.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylprop-2-enylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 78092281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).