1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H17N3O2 — CID 15738317

IUPAC1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H17N3O2/c1-11-6-4-10(5-7-11)8(14)12(2)9(15)13(10)3/h4-7H2,1-3H3
InChIKeyMQAHXZAPDFVSQR-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.03
Rot. Bonds

About 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 15738317) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID15738317
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)C(=O)N(C)C(=O)N2C
InChIInChI=1S/C10H17N3O2/c1-11-6-4-10(5-7-11)8(14)12(2)9(15)13(10)3/h4-7H2,1-3H3
InChIKeyMQAHXZAPDFVSQR-UHFFFAOYSA-N
XLogP-0.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
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 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 15738317) is 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)C(=O)N(C)C(=O)N2C.
What is the InChIKey of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MQAHXZAPDFVSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-11-6-4-10(5-7-11)8(14)12(2)9(15)13(10)3/h4-7H2,1-3H3.
What are the key properties of 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 15738317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).