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

C9H14N2O2 — CID 12816

IUPAC3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C9H14N2O2/c1-11-7(12)9(10-8(11)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)
InChIKeyVSFUHUUDMVNIRO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.87
Rot. Bonds

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

3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 12816) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID12816
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C9H14N2O2/c1-11-7(12)9(10-8(11)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)
InChIKeyVSFUHUUDMVNIRO-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.87
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-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 12816) is 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VSFUHUUDMVNIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-7(12)9(10-8(11)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13).
What are the key properties of 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 12816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).