2-methyl-2-azaspiro[4.4]non-7-en-1-one

C9H13NO — CID 71339218

IUPAC2-methyl-2-azaspiro[4.4]non-7-en-1-one
SMILESCN1CCC2(CC=CC2)C1=O
InChIInChI=1S/C9H13NO/c1-10-7-6-9(8(10)11)4-2-3-5-9/h2-3H,4-7H2,1H3
InChIKeyFPTBFQCEOBTMTJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds

About 2-methyl-2-azaspiro[4.4]non-7-en-1-one

2-methyl-2-azaspiro[4.4]non-7-en-1-one (PubChem CID 71339218) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-2-azaspiro[4.4]non-7-en-1-one.

Molecular Properties

Compound Name2-methyl-2-azaspiro[4.4]non-7-en-1-one
PubChem CID71339218
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-2-azaspiro[4.4]non-7-en-1-one
SMILESCN1CCC2(CC=CC2)C1=O
InChIInChI=1S/C9H13NO/c1-10-7-6-9(8(10)11)4-2-3-5-9/h2-3H,4-7H2,1H3
InChIKeyFPTBFQCEOBTMTJ-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 1-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylate
CID 53493139
1-Methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 86255489
1-Methyl-3-prop-2-enyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 137473620
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193
2-Methyl-2-azaspiro[4.5]dec-7-EN-1-one
CID 71421677
2-Tert-butyl-2-azaspiro[4.5]deca-6,9-dien-3-one
CID 162419440
CID 162419816
CID 162419816
CID 162419817
CID 162419817
3-Azaspiro[4,4]-non-7-en-2-one
CID 163196966
3-Ethenyl-1,3-dimethylpyrrolidin-2-one
CID 17864821
4,7,7-Trimethyl-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 59782006
1-Methyl-4-prop-2-enylpyrrolidin-2-one
CID 67434574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azaspiro[4.4]non-7-en-1-one?
The IUPAC name of 2-methyl-2-azaspiro[4.4]non-7-en-1-one (CID 71339218) is 2-methyl-2-azaspiro[4.4]non-7-en-1-one.
What is the SMILES notation for 2-methyl-2-azaspiro[4.4]non-7-en-1-one?
The canonical SMILES for 2-methyl-2-azaspiro[4.4]non-7-en-1-one is CN1CCC2(CC=CC2)C1=O.
What is the InChIKey of 2-methyl-2-azaspiro[4.4]non-7-en-1-one?
The InChIKey is FPTBFQCEOBTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-7-6-9(8(10)11)4-2-3-5-9/h2-3H,4-7H2,1H3.
What are the key properties of 2-methyl-2-azaspiro[4.4]non-7-en-1-one?
2-methyl-2-azaspiro[4.4]non-7-en-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azaspiro[4.4]non-7-en-1-one is sourced from PubChem (CID 71339218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).