1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione

C12H18N2O3 — CID 20502785

IUPAC1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(N2C(=O)CC(=O)NC2=O)CCCCC1
InChIInChI=1S/C12H18N2O3/c1-2-12(6-4-3-5-7-12)14-10(16)8-9(15)13-11(14)17/h2-8H2,1H3,(H,13,15,17)
InChIKeyFTHOECRWNRPTCF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.57
Rot. Bonds2

About 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione

1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 20502785) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
PubChem CID20502785
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(N2C(=O)CC(=O)NC2=O)CCCCC1
InChIInChI=1S/C12H18N2O3/c1-2-12(6-4-3-5-7-12)14-10(16)8-9(15)13-11(14)17/h2-8H2,1H3,(H,13,15,17)
InChIKeyFTHOECRWNRPTCF-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione (CID 20502785) is 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione is CCC1(N2C(=O)CC(=O)NC2=O)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FTHOECRWNRPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-12(6-4-3-5-7-12)14-10(16)8-9(15)13-11(14)17/h2-8H2,1H3,(H,13,15,17).
What are the key properties of 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione?
1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20502785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).