7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C13H18N2O3 — CID 112600692

IUPAC7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCC(CC1CC1)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C13H18N2O3/c1-2-9(7-8-3-4-8)15-11(17)13(5-6-13)10(16)14-12(15)18/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyRYKBMQZOWYQSIH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.42
Rot. Bonds4

About 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112600692) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112600692
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCC(CC1CC1)N1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C13H18N2O3/c1-2-9(7-8-3-4-8)15-11(17)13(5-6-13)10(16)14-12(15)18/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyRYKBMQZOWYQSIH-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.42
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 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112600692) is 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CCC(CC1CC1)N1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is RYKBMQZOWYQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-9(7-8-3-4-8)15-11(17)13(5-6-13)10(16)14-12(15)18/h8-9H,2-7H2,1H3,(H,14,16,18).
What are the key properties of 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 250.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclopropylbutan-2-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112600692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).