7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C11H16N2O4 — CID 112600943

IUPAC7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOCCC(C)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(3-6-17-2)13-9(15)11(4-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyVJAINNLQPLEYAO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.27
Rot. Bonds4

About 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112600943) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112600943
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOCCC(C)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-7(3-6-17-2)13-9(15)11(4-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyVJAINNLQPLEYAO-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112600943) is 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is COCCC(C)N1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is VJAINNLQPLEYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(3-6-17-2)13-9(15)11(4-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16).
What are the key properties of 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 240.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxybutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112600943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).