8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one

C7H13N4O2+ — CID 140757355

IUPAC8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NC(=O)N[N+]2=O
InChIInChI=1S/C7H12N4O2/c1-10-4-2-7(3-5-10)8-6(12)9-11(7)13/h2-5H2,1H3,(H-,8,9,12,13)/p+1
InChIKeyJUWUSYDDHZMTCM-UHFFFAOYSA-O
MW185.21 g/mol
LogP-0.58
Rot. Bonds

About 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one

8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one (PubChem CID 140757355) has the molecular formula C7H13N4O2+ and a molecular weight of 185.21 g/mol. Its IUPAC name is 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one
PubChem CID140757355
Molecular FormulaC7H13N4O2+
Molecular Weight185.21 g/mol
Exact Mass185.10
IUPAC Name8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NC(=O)N[N+]2=O
InChIInChI=1S/C7H12N4O2/c1-10-4-2-7(3-5-10)8-6(12)9-11(7)13/h2-5H2,1H3,(H-,8,9,12,13)/p+1
InChIKeyJUWUSYDDHZMTCM-UHFFFAOYSA-O
XLogP-0.58
TPSA64.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
CID 82397620
3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115
5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one
CID 144828070
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388239
3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097463
methanethiol;1,4,4-trimethylpiperidine
CID 178113124
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 176666943
7-methyl-1,7-diazaspiro[4.4]nonane-2,4-dione
CID 164972887

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one?
The IUPAC name of 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one (CID 140757355) is 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one is CN1CCC2(CC1)NC(=O)N[N+]2=O.
What is the InChIKey of 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one?
The InChIKey is JUWUSYDDHZMTCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4O2/c1-10-4-2-7(3-5-10)8-6(12)9-11(7)13/h2-5H2,1H3,(H-,8,9,12,13)/p+1.
What are the key properties of 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one?
8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one has a molecular weight of 185.21 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one is sourced from PubChem (CID 140757355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).