5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione

C13H18N2O3 — CID 24834128

IUPAC5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H18N2O3/c1-3-8-13(9-6-4-5-7-9)10(16)14-12(18)15(2)11(13)17/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,16,18)
InChIKeyBDWZNYSBMVKMDG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.45
Rot. Bonds3

About 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione

5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 24834128) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID24834128
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H18N2O3/c1-3-8-13(9-6-4-5-7-9)10(16)14-12(18)15(2)11(13)17/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,16,18)
InChIKeyBDWZNYSBMVKMDG-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
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

2-(5-cyclopent-2-en-1-yl-1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)acetic acid
CID 87440801
cyclohexyl 2-(5-cyclopent-2-en-1-yl-1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)acetate
CID 12967980
5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
CID 24834124
5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
CID 121408698
(3aR,7aS)-3-butyl-3a,6,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11446892
5,5-di(cyclohepta-2,4-dien-1-yl)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532933
sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 137321514
5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;5-cyclohex-2-en-1-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 87186642
(3aR,7aS)-3-ethyl-3a,6,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11147938
7a-ethyl-2-hydroxy-4,5-dihydro-3aH-isoindole-1,3-dione
CID 70424130
CID 87392870
CID 87392870
butane;3-methylcyclopentene
CID 143221247

Frequently Asked Questions

What is the IUPAC name of 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione (CID 24834128) is 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BDWZNYSBMVKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-8-13(9-6-4-5-7-9)10(16)14-12(18)15(2)11(13)17/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,16,18).
What are the key properties of 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione?
5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 250.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24834128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).