3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C13H22N2O2 — CID 61293566

IUPAC3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCCN1C(=O)NC2(CCCC(C)C2)C1=O
InChIInChI=1S/C13H22N2O2/c1-3-4-8-15-11(16)13(14-12(15)17)7-5-6-10(2)9-13/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyVXGGTEDHBSGTDC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.29
Rot. Bonds3

About 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 61293566) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID61293566
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCCN1C(=O)NC2(CCCC(C)C2)C1=O
InChIInChI=1S/C13H22N2O2/c1-3-4-8-15-11(16)13(14-12(15)17)7-5-6-10(2)9-13/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyVXGGTEDHBSGTDC-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 61293566) is 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCCCN1C(=O)NC2(CCCC(C)C2)C1=O.
What is the InChIKey of 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VXGGTEDHBSGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-8-15-11(16)13(14-12(15)17)7-5-6-10(2)9-13/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 61293566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).