6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one

C7H10N2O — CID 55265203

IUPAC6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one
SMILESCC1=NC2(CCC2)C(=O)N1
InChIInChI=1S/C7H10N2O/c1-5-8-6(10)7(9-5)3-2-4-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyHAWXVDXCRMZIOE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.46
Rot. Bonds

About 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one

6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one (PubChem CID 55265203) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one.

Molecular Properties

Compound Name6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one
PubChem CID55265203
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one
SMILESCC1=NC2(CCC2)C(=O)N1
InChIInChI=1S/C7H10N2O/c1-5-8-6(10)7(9-5)3-2-4-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyHAWXVDXCRMZIOE-UHFFFAOYSA-N
XLogP0.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-1H-imidazol-5-one
CID 12488968
2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624621
(4S)-2,4-dimethyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624622
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166
5-Butyl-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 19379825
2-Methyl-1,3-diazaspiro[4.4]non-1-EN-4-one
CID 20747568
2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one;hydrochloride
CID 21466583
2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one
CID 21466584
5-Methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 55265204
2-butyl-4,4-diethyl-1H-imidazol-5(4H)-one
CID 59138170
2-Methyl-4-propyl-1,4-dihydroimidazol-5-one
CID 59373423

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one?
The IUPAC name of 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one (CID 55265203) is 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one.
What is the SMILES notation for 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one?
The canonical SMILES for 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one is CC1=NC2(CCC2)C(=O)N1.
What is the InChIKey of 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one?
The InChIKey is HAWXVDXCRMZIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-8-6(10)7(9-5)3-2-4-7/h2-4H2,1H3,(H,8,9,10).
What are the key properties of 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one?
6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one has a molecular weight of 138.17 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7-diazaspiro[3.4]oct-5-en-8-one is sourced from PubChem (CID 55265203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).