ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione

C10H19N3O2 — CID 90804461

IUPACethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCC.CN1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2.C2H6/c1-11-4-2-3-8(5-11)6(12)9-7(13)10-8;1-2/h2-5H2,1H3,(H2,9,10,12,13);1-2H3
InChIKeyINPMQGVILNARPX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.32
Rot. Bonds

About ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione

ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 90804461) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Nameethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID90804461
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nameethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCC.CN1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2.C2H6/c1-11-4-2-3-8(5-11)6(12)9-7(13)10-8;1-2/h2-5H2,1H3,(H2,9,10,12,13);1-2H3
InChIKeyINPMQGVILNARPX-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 90804461) is ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione is CC.CN1CCCC2(C1)NC(=O)NC2=O.
What is the InChIKey of ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is INPMQGVILNARPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.C2H6/c1-11-4-2-3-8(5-11)6(12)9-7(13)10-8;1-2/h2-5H2,1H3,(H2,9,10,12,13);1-2H3.
What are the key properties of ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 213.28 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90804461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).