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

C9H12N2O3 — CID 141323079

IUPAC5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
SMILESCC=CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3,5H,4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyLJVDBDKOAYDKBC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.32
Rot. Bonds2

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

5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 141323079) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
PubChem CID141323079
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
SMILESCC=CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3,5H,4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyLJVDBDKOAYDKBC-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 92524100
5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 5381892
sodium 5-[(E)-pent-2-en-3-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 54600109
5-[(E)-pent-1-enyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 6434839
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 19911803
5-[(E)-3-bromoprop-1-enyl]-5-butan-2-yl-1,3-diazinane-2,4,6-trione
CID 24834072
(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 129452353
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
(5R)-5-ethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 51382710
5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 69286295

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione (CID 141323079) is 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione is CC=CC1(CC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LJVDBDKOAYDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3,5H,4H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione?
5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 196.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 141323079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).