1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione

C12H18N2O3 — CID 112599308

IUPAC1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C(C)C2CC2)C1=O
InChIInChI=1S/C12H18N2O3/c1-3-4-9-10(15)13-12(17)14(11(9)16)7(2)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyYXRIVTFLULCZGP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.28
Rot. Bonds4

About 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 112599308) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID112599308
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C(C)C2CC2)C1=O
InChIInChI=1S/C12H18N2O3/c1-3-4-9-10(15)13-12(17)14(11(9)16)7(2)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyYXRIVTFLULCZGP-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.28
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-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 112599308) is 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C(C)C2CC2)C1=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YXRIVTFLULCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-9-10(15)13-12(17)14(11(9)16)7(2)8-5-6-8/h7-9H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 238.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112599308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).