3-methyl-3-azaspiro[5.5]undec-10-en-9-one

C11H17NO — CID 58252516

IUPAC3-methyl-3-azaspiro[5.5]undec-10-en-9-one
SMILESCN1CCC2(C=CC(=O)CC2)CC1
InChIInChI=1S/C11H17NO/c1-12-8-6-11(7-9-12)4-2-10(13)3-5-11/h2,4H,3,5-9H2,1H3
InChIKeyDOIYXJBXKCODGG-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.62
Rot. Bonds

About 3-methyl-3-azaspiro[5.5]undec-10-en-9-one

3-methyl-3-azaspiro[5.5]undec-10-en-9-one (PubChem CID 58252516) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methyl-3-azaspiro[5.5]undec-10-en-9-one.

Molecular Properties

Compound Name3-methyl-3-azaspiro[5.5]undec-10-en-9-one
PubChem CID58252516
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methyl-3-azaspiro[5.5]undec-10-en-9-one
SMILESCN1CCC2(C=CC(=O)CC2)CC1
InChIInChI=1S/C11H17NO/c1-12-8-6-11(7-9-12)4-2-10(13)3-5-11/h2,4H,3,5-9H2,1H3
InChIKeyDOIYXJBXKCODGG-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azaspiro[5.5]undec-10-en-9-one?
The IUPAC name of 3-methyl-3-azaspiro[5.5]undec-10-en-9-one (CID 58252516) is 3-methyl-3-azaspiro[5.5]undec-10-en-9-one.
What is the SMILES notation for 3-methyl-3-azaspiro[5.5]undec-10-en-9-one?
The canonical SMILES for 3-methyl-3-azaspiro[5.5]undec-10-en-9-one is CN1CCC2(C=CC(=O)CC2)CC1.
What is the InChIKey of 3-methyl-3-azaspiro[5.5]undec-10-en-9-one?
The InChIKey is DOIYXJBXKCODGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-8-6-11(7-9-12)4-2-10(13)3-5-11/h2,4H,3,5-9H2,1H3.
What are the key properties of 3-methyl-3-azaspiro[5.5]undec-10-en-9-one?
3-methyl-3-azaspiro[5.5]undec-10-en-9-one has a molecular weight of 179.26 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azaspiro[5.5]undec-10-en-9-one is sourced from PubChem (CID 58252516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).