6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one

C7H10N2O — CID 55265292

IUPAC6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one
SMILESCC1=NCC2(CC2)C(=O)N1
InChIInChI=1S/C7H10N2O/c1-5-8-4-7(2-3-7)6(10)9-5/h2-4H2,1H3,(H,8,9,10)
InChIKeyFIJGXAHAZYNVLY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.31
Rot. Bonds

About 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one

6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one (PubChem CID 55265292) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one.

Molecular Properties

Compound Name6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one
PubChem CID55265292
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one
SMILESCC1=NCC2(CC2)C(=O)N1
InChIInChI=1S/C7H10N2O/c1-5-8-4-7(2-3-7)6(10)9-5/h2-4H2,1H3,(H,8,9,10)
InChIKeyFIJGXAHAZYNVLY-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one?
The IUPAC name of 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one (CID 55265292) is 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one.
What is the SMILES notation for 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one?
The canonical SMILES for 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one is CC1=NCC2(CC2)C(=O)N1.
What is the InChIKey of 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one?
The InChIKey is FIJGXAHAZYNVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-8-4-7(2-3-7)6(10)9-5/h2-4H2,1H3,(H,8,9,10).
What are the key properties of 6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one?
6-methyl-5,7-diazaspiro[2.5]oct-5-en-8-one has a molecular weight of 138.17 g/mol, XLogP of 0.31, 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[2.5]oct-5-en-8-one is sourced from PubChem (CID 55265292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).