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

C8H13N3O2 — CID 114499550

IUPAC6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1CNCCC12NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2/c1-5-4-9-3-2-8(5)6(12)10-7(13)11-8/h5,9H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyPPCFBKPXCSUWEC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.81
Rot. Bonds

About 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 114499550) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID114499550
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1CNCCC12NC(=O)NC2=O
InChIInChI=1S/C8H13N3O2/c1-5-4-9-3-2-8(5)6(12)10-7(13)11-8/h5,9H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyPPCFBKPXCSUWEC-UHFFFAOYSA-N
XLogP-0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
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 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 114499550) is 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1CNCCC12NC(=O)NC2=O.
What is the InChIKey of 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PPCFBKPXCSUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-4-9-3-2-8(5)6(12)10-7(13)11-8/h5,9H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 114499550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).