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

C15H24N2O3 — CID 3065041

IUPAC5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(C)C(=O)C(CC)(C(C)CCC)C1=O
InChIInChI=1S/C15H24N2O3/c1-6-9-11(4)15(8-3)12(18)16(5)14(20)17(10-7-2)13(15)19/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeySSSONBJSZXDQKV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.43
Rot. Bonds6

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

5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 3065041) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID3065041
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)N(C)C(=O)C(CC)(C(C)CCC)C1=O
InChIInChI=1S/C15H24N2O3/c1-6-9-11(4)15(8-3)12(18)16(5)14(20)17(10-7-2)13(15)19/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeySSSONBJSZXDQKV-UHFFFAOYSA-N
XLogP2.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.43
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 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 3065041) is 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)N(C)C(=O)C(CC)(C(C)CCC)C1=O.
What is the InChIKey of 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SSSONBJSZXDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-9-11(4)15(8-3)12(18)16(5)14(20)17(10-7-2)13(15)19/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 280.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3065041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).