6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one

C8H11NO — CID 90382245

IUPAC6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one
SMILESCC1=C(C)C2(CC2)C(=O)N1
InChIInChI=1S/C8H11NO/c1-5-6(2)9-7(10)8(5)3-4-8/h3-4H2,1-2H3,(H,9,10)
InChIKeyXABFLKJJAKAQEB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.19
Rot. Bonds

About 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one

6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one (PubChem CID 90382245) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one.

Molecular Properties

Compound Name6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one
PubChem CID90382245
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one
SMILESCC1=C(C)C2(CC2)C(=O)N1
InChIInChI=1S/C8H11NO/c1-5-6(2)9-7(10)8(5)3-4-8/h3-4H2,1-2H3,(H,9,10)
InChIKeyXABFLKJJAKAQEB-UHFFFAOYSA-N
XLogP1.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one?
The IUPAC name of 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one (CID 90382245) is 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one.
What is the SMILES notation for 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one?
The canonical SMILES for 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one is CC1=C(C)C2(CC2)C(=O)N1.
What is the InChIKey of 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one?
The InChIKey is XABFLKJJAKAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-6(2)9-7(10)8(5)3-4-8/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one?
6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one has a molecular weight of 137.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one is sourced from PubChem (CID 90382245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).