8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

C11H15N5O2 — CID 60976124

IUPAC8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1Cc1nn[nH]n1
InChIInChI=1S/C11H15N5O2/c17-9-5-11(3-1-2-4-11)6-10(18)16(9)7-8-12-14-15-13-8/h1-7H2,(H,12,13,14,15)
InChIKeyPRAFGFVCZCKRDR-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.41
Rot. Bonds2

About 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 60976124) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID60976124
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1Cc1nn[nH]n1
InChIInChI=1S/C11H15N5O2/c17-9-5-11(3-1-2-4-11)6-10(18)16(9)7-8-12-14-15-13-8/h1-7H2,(H,12,13,14,15)
InChIKeyPRAFGFVCZCKRDR-UHFFFAOYSA-N
XLogP0.41
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-1,2,4-triazol-5-ylmethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 54880588
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 114694767
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574

Frequently Asked Questions

What is the IUPAC name of 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (CID 60976124) is 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1Cc1nn[nH]n1.
What is the InChIKey of 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is PRAFGFVCZCKRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-9-5-11(3-1-2-4-11)6-10(18)16(9)7-8-12-14-15-13-8/h1-7H2,(H,12,13,14,15).
What are the key properties of 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 249.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 60976124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).