9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one

C9H11NO — CID 122521956

IUPAC9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one
SMILESCC1=CC=CC12CCC(=O)N2
InChIInChI=1S/C9H11NO/c1-7-3-2-5-9(7)6-4-8(11)10-9/h2-3,5H,4,6H2,1H3,(H,10,11)
InChIKeyJULDNNKDEBCVTC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.15
Rot. Bonds

About 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one

9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one (PubChem CID 122521956) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one.

Molecular Properties

Compound Name9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one
PubChem CID122521956
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one
SMILESCC1=CC=CC12CCC(=O)N2
InChIInChI=1S/C9H11NO/c1-7-3-2-5-9(7)6-4-8(11)10-9/h2-3,5H,4,6H2,1H3,(H,10,11)
InChIKeyJULDNNKDEBCVTC-UHFFFAOYSA-N
XLogP1.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one?
The IUPAC name of 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one (CID 122521956) is 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one.
What is the SMILES notation for 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one?
The canonical SMILES for 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one is CC1=CC=CC12CCC(=O)N2.
What is the InChIKey of 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one?
The InChIKey is JULDNNKDEBCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-2-5-9(7)6-4-8(11)10-9/h2-3,5H,4,6H2,1H3,(H,10,11).
What are the key properties of 9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one?
9-methyl-1-azaspiro[4.4]nona-6,8-dien-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.15, 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[4.4]nona-6,8-dien-2-one is sourced from PubChem (CID 122521956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).