1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane

C11H21N3O3 — CID 159762511

IUPAC1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
SMILESC.C.C=CCn1c(=O)n(C)c(=O)n(CC)c1=O
InChIInChI=1S/C9H13N3O3.2CH4/c1-4-6-12-8(14)10(3)7(13)11(5-2)9(12)15;;/h4H,1,5-6H2,2-3H3;2*1H4
InChIKeyNFBNQUYOCAKHPE-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.19
Rot. Bonds3

About 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane

1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane (PubChem CID 159762511) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
PubChem CID159762511
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
SMILESC.C.C=CCn1c(=O)n(C)c(=O)n(CC)c1=O
InChIInChI=1S/C9H13N3O3.2CH4/c1-4-6-12-8(14)10(3)7(13)11(5-2)9(12)15;;/h4H,1,5-6H2,2-3H3;2*1H4
InChIKeyNFBNQUYOCAKHPE-UHFFFAOYSA-N
XLogP0.19
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
1-methyl-3-nonyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 90337163
1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
1-methyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1-(oxiran-2-ylmethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 157315329
hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 158092891
1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 166726321
1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 138624759
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 176847513
1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
CID 54527016
1,3-bis(but-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 54557283
1-(3-methylsulfanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 144591781
1-(4,4-dimethylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 89280609

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane?
The IUPAC name of 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane (CID 159762511) is 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane.
What is the SMILES notation for 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane?
The canonical SMILES for 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane is C.C.C=CCn1c(=O)n(C)c(=O)n(CC)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane?
The InChIKey is NFBNQUYOCAKHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3.2CH4/c1-4-6-12-8(14)10(3)7(13)11(5-2)9(12)15;;/h4H,1,5-6H2,2-3H3;2*1H4.
What are the key properties of 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane?
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane has a molecular weight of 243.31 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane is sourced from PubChem (CID 159762511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).