8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H13N5O3 — CID 81257107

IUPAC8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)n3ccnc3)CC2)N1
InChIInChI=1S/C11H13N5O3/c17-8-11(14-9(18)13-8)1-4-15(5-2-11)10(19)16-6-3-12-7-16/h3,6-7H,1-2,4-5H2,(H2,13,14,17,18)
InChIKeyUCYMONUNBMTSIW-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.47
Rot. Bonds

About 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 81257107) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID81257107
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)n3ccnc3)CC2)N1
InChIInChI=1S/C11H13N5O3/c17-8-11(14-9(18)13-8)1-4-15(5-2-11)10(19)16-6-3-12-7-16/h3,6-7H,1-2,4-5H2,(H2,13,14,17,18)
InChIKeyUCYMONUNBMTSIW-UHFFFAOYSA-N
XLogP-0.47
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 81257107) is 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)n3ccnc3)CC2)N1.
What is the InChIKey of 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UCYMONUNBMTSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c17-8-11(14-9(18)13-8)1-4-15(5-2-11)10(19)16-6-3-12-7-16/h3,6-7H,1-2,4-5H2,(H2,13,14,17,18).
What are the key properties of 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 263.26 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 81257107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).