3-methyl-1-azaspiro[5.5]undec-3-en-5-one

C11H17NO — CID 5200370

IUPAC3-methyl-1-azaspiro[5.5]undec-3-en-5-one
SMILESCC1=CC(=O)C2(CCCCC2)NC1
InChIInChI=1S/C11H17NO/c1-9-7-10(13)11(12-8-9)5-3-2-4-6-11/h7,12H,2-6,8H2,1H3
InChIKeyUTZOPMJCRUYPCR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.81
Rot. Bonds

About 3-methyl-1-azaspiro[5.5]undec-3-en-5-one

3-methyl-1-azaspiro[5.5]undec-3-en-5-one (PubChem CID 5200370) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methyl-1-azaspiro[5.5]undec-3-en-5-one.

Molecular Properties

Compound Name3-methyl-1-azaspiro[5.5]undec-3-en-5-one
PubChem CID5200370
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methyl-1-azaspiro[5.5]undec-3-en-5-one
SMILESCC1=CC(=O)C2(CCCCC2)NC1
InChIInChI=1S/C11H17NO/c1-9-7-10(13)11(12-8-9)5-3-2-4-6-11/h7,12H,2-6,8H2,1H3
InChIKeyUTZOPMJCRUYPCR-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azaspiro[5.5]undec-3-en-5-one?
The IUPAC name of 3-methyl-1-azaspiro[5.5]undec-3-en-5-one (CID 5200370) is 3-methyl-1-azaspiro[5.5]undec-3-en-5-one.
What is the SMILES notation for 3-methyl-1-azaspiro[5.5]undec-3-en-5-one?
The canonical SMILES for 3-methyl-1-azaspiro[5.5]undec-3-en-5-one is CC1=CC(=O)C2(CCCCC2)NC1.
What is the InChIKey of 3-methyl-1-azaspiro[5.5]undec-3-en-5-one?
The InChIKey is UTZOPMJCRUYPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-7-10(13)11(12-8-9)5-3-2-4-6-11/h7,12H,2-6,8H2,1H3.
What are the key properties of 3-methyl-1-azaspiro[5.5]undec-3-en-5-one?
3-methyl-1-azaspiro[5.5]undec-3-en-5-one has a molecular weight of 179.26 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azaspiro[5.5]undec-3-en-5-one is sourced from PubChem (CID 5200370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).