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

C22H32N2O3 — CID 3015680

IUPAC1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C22H32N2O3/c1-3-15-22(16-4-2)19(25)23(17-11-7-5-8-12-17)21(27)24(20(22)26)18-13-9-6-10-14-18/h3-4,17-18H,1-2,5-16H2
InChIKeyWPXAGRCFPLBOHP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.58
Rot. Bonds6

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

1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3015680) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID3015680
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C22H32N2O3/c1-3-15-22(16-4-2)19(25)23(17-11-7-5-8-12-17)21(27)24(20(22)26)18-13-9-6-10-14-18/h3-4,17-18H,1-2,5-16H2
InChIKeyWPXAGRCFPLBOHP-UHFFFAOYSA-N
XLogP4.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.58
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 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 3015680) is 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1(CC=C)C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is WPXAGRCFPLBOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-3-15-22(16-4-2)19(25)23(17-11-7-5-8-12-17)21(27)24(20(22)26)18-13-9-6-10-14-18/h3-4,17-18H,1-2,5-16H2.
What are the key properties of 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 372.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3015680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).