5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one

C6H8N2O — CID 55265204

IUPAC5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCC1=NC2(CC2)C(=O)N1
InChIInChI=1S/C6H8N2O/c1-4-7-5(9)6(8-4)2-3-6/h2-3H2,1H3,(H,7,8,9)
InChIKeyWIBAFXDPXKAILL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.07
Rot. Bonds

About 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one

5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 55265204) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
PubChem CID55265204
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCC1=NC2(CC2)C(=O)N1
InChIInChI=1S/C6H8N2O/c1-4-7-5(9)6(8-4)2-3-6/h2-3H2,1H3,(H,7,8,9)
InChIKeyWIBAFXDPXKAILL-UHFFFAOYSA-N
XLogP0.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.07
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-ethyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624626
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
5-Butyl-4,6-diazaspiro[2.4]hept-4-en-7-one;hydrochloride
CID 19379824
5-Butyl-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 19379825
4,4-dimethyl-2-propyl-1H-imidazol-5-one
CID 19933477
2-butyl-4-ethyl-4-methyl-1H-imidazol-5-one
CID 21466584
6-Methyl-5,7-diazaspiro[3.4]oct-5-EN-8-one
CID 55265203
5-(3-Methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 58810593
2,4-Diethyl-1,4-dihydroimidazol-5-one
CID 70418420

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 55265204) is 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one is CC1=NC2(CC2)C(=O)N1.
What is the InChIKey of 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
The InChIKey is WIBAFXDPXKAILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-7-5(9)6(8-4)2-3-6/h2-3H2,1H3,(H,7,8,9).
What are the key properties of 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 124.14 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 55265204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).