9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one

C10H13NO — CID 91160729

IUPAC9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one
SMILESCC1=CC=CC2(CCC(=O)N2)C1
InChIInChI=1S/C10H13NO/c1-8-3-2-5-10(7-8)6-4-9(12)11-10/h2-3,5H,4,6-7H2,1H3,(H,11,12)
InChIKeyXBKDJEQZHDBBCE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds

About 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one

9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one (PubChem CID 91160729) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one.

Molecular Properties

Compound Name9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one
PubChem CID91160729
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one
SMILESCC1=CC=CC2(CCC(=O)N2)C1
InChIInChI=1S/C10H13NO/c1-8-3-2-5-10(7-8)6-4-9(12)11-10/h2-3,5H,4,6-7H2,1H3,(H,11,12)
InChIKeyXBKDJEQZHDBBCE-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Azaspiro[4.4]non-6-EN-2-one
CID 23584432
5-But-1-en-2-yl-5-methylpyrrolidin-2-one
CID 18518845
4-Propyl-1,3,3a,7a-tetrahydroindol-2-one
CID 59419108
tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
CID 67975699
1-Pentyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 68444825
N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide
CID 89032082
4-Cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one
CID 89336628
8-Methyl-1-azaspiro[4.5]dec-6-en-2-one
CID 90967215
5-Methyl-5-penta-2,4-dienylpyrrolidin-2-one
CID 91564398
1-Azaspiro[4.5]dec-6-en-2-one
CID 101440491
4-Ethyl-1,3,4,5-tetrahydroindol-2-one
CID 118687162
9-Methyl-1-azaspiro[4.4]nona-6,8-dien-2-one
CID 122521956

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one?
The IUPAC name of 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one (CID 91160729) is 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one.
What is the SMILES notation for 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one?
The canonical SMILES for 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one is CC1=CC=CC2(CCC(=O)N2)C1.
What is the InChIKey of 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one?
The InChIKey is XBKDJEQZHDBBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-3-2-5-10(7-8)6-4-9(12)11-10/h2-3,5H,4,6-7H2,1H3,(H,11,12).
What are the key properties of 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one?
9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-azaspiro[4.5]deca-6,8-dien-2-one is sourced from PubChem (CID 91160729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).