1-methyl-1-azaspiro[5.5]undec-2-en-4-one

C11H17NO — CID 10631199

IUPAC1-methyl-1-azaspiro[5.5]undec-2-en-4-one
SMILESCN1C=CC(=O)CC12CCCCC2
InChIInChI=1S/C11H17NO/c1-12-8-5-10(13)9-11(12)6-3-2-4-7-11/h5,8H,2-4,6-7,9H2,1H3
InChIKeyFCNFMIULQSKOMS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds

About 1-methyl-1-azaspiro[5.5]undec-2-en-4-one

1-methyl-1-azaspiro[5.5]undec-2-en-4-one (PubChem CID 10631199) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-methyl-1-azaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name1-methyl-1-azaspiro[5.5]undec-2-en-4-one
PubChem CID10631199
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-methyl-1-azaspiro[5.5]undec-2-en-4-one
SMILESCN1C=CC(=O)CC12CCCCC2
InChIInChI=1S/C11H17NO/c1-12-8-5-10(13)9-11(12)6-3-2-4-7-11/h5,8H,2-4,6-7,9H2,1H3
InChIKeyFCNFMIULQSKOMS-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-azaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 1-methyl-1-azaspiro[5.5]undec-2-en-4-one (CID 10631199) is 1-methyl-1-azaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 1-methyl-1-azaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 1-methyl-1-azaspiro[5.5]undec-2-en-4-one is CN1C=CC(=O)CC12CCCCC2.
What is the InChIKey of 1-methyl-1-azaspiro[5.5]undec-2-en-4-one?
The InChIKey is FCNFMIULQSKOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-8-5-10(13)9-11(12)6-3-2-4-7-11/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 1-methyl-1-azaspiro[5.5]undec-2-en-4-one?
1-methyl-1-azaspiro[5.5]undec-2-en-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-azaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 10631199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).