3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C8H14ClN3O2 — CID 18931313

IUPAC3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCN1C(=O)NC2(CCNCC2)C1=O.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-11-6(12)8(10-7(11)13)2-4-9-5-3-8;/h9H,2-5H2,1H3,(H,10,13);1H
InChIKeySOPWZZACEHCWCT-UHFFFAOYSA-N
MW219.67 g/mol
LogP-0.29
Rot. Bonds

About 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 18931313) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID18931313
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCN1C(=O)NC2(CCNCC2)C1=O.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-11-6(12)8(10-7(11)13)2-4-9-5-3-8;/h9H,2-5H2,1H3,(H,10,13);1H
InChIKeySOPWZZACEHCWCT-UHFFFAOYSA-N
XLogP-0.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 5-0.29
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 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 18931313) is 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is CN1C(=O)NC2(CCNCC2)C1=O.Cl.
What is the InChIKey of 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is SOPWZZACEHCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-11-6(12)8(10-7(11)13)2-4-9-5-3-8;/h9H,2-5H2,1H3,(H,10,13);1H.
What are the key properties of 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 18931313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).