7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one

C11H15NO — CID 139125618

IUPAC7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)CCCN2
InChIInChI=1S/C11H15NO/c1-8-6-11(4-3-5-12-11)7-9(2)10(8)13/h6-7,12H,3-5H2,1-2H3
InChIKeySRHZETITVQTEOA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.58
Rot. Bonds

About 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one

7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 139125618) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one
PubChem CID139125618
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)CCCN2
InChIInChI=1S/C11H15NO/c1-8-6-11(4-3-5-12-11)7-9(2)10(8)13/h6-7,12H,3-5H2,1-2H3
InChIKeySRHZETITVQTEOA-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,7,9-Tetramethyl-2-azaspiro[4.5]deca-6,9-dien-8-one
CID 129758776
(E)-4-pyrrolidin-2-ylbut-3-en-2-one
CID 10866406
1-(1,2,3,6-Tetrahydropyridin-5-yl)propan-1-one
CID 21284371
3-Methyl-4-pyrrolidin-2-ylbut-3-en-2-one
CID 57031808
1-Pyrrolidin-2-ylpent-1-en-3-one
CID 91022944
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-one
CID 135165344
1-(2,5-dihydro-1H-pyrrol-3-yl)-2-methylpropan-1-one
CID 135165382
2-Methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
CID 135165455
(E)-4-methyl-1-pyrrolidin-2-ylpent-1-en-3-one
CID 135176643
(E)-1-pyrrolidin-2-ylpent-1-en-3-one
CID 135183605
1-(1,2,3,6-Tetrahydropyridin-5-yl)propan-1-one;hydrochloride
CID 141555205
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-one;hydrochloride
CID 141560940

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one (CID 139125618) is 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one is CC1=CC2(C=C(C)C1=O)CCCN2.
What is the InChIKey of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is SRHZETITVQTEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-11(4-3-5-12-11)7-9(2)10(8)13/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one?
7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 177.25 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 139125618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).