1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C19H28N2O3 — CID 12936

IUPAC1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H28N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2,14-16H,1,3-13H2
InChIKeyVTHNOHNTKWFDGT-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.63
Rot. Bonds4

About 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 12936) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID12936
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H28N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2,14-16H,1,3-13H2
InChIKeyVTHNOHNTKWFDGT-UHFFFAOYSA-N
XLogP3.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.63
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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Related Compounds

3-Cyclohexyl-6-hydroxy-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
CID 13460
1,3-Dicyclohexyl-5,5-diallylbarbituric acid
CID 3015680
Barbituric acid, 1,3-dicyclohexyl-5-ethyl-
CID 13325
Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-
CID 40770
1-Cyclohexyl-5-(1-piperidinylmethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 155740
1-Cyclohexyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 145129404
Sodium 1-cyclohexyl-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione
CID 24834049
(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 122172950

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 12936) is 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VTHNOHNTKWFDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2,14-16H,1,3-13H2.
What are the key properties of 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 332.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).