1-methyl-1-azaspiro[4.6]undec-9-en-6-one

C11H17NO — CID 157412332

IUPAC1-methyl-1-azaspiro[4.6]undec-9-en-6-one
SMILESCN1CCCC12CC=CCCC2=O
InChIInChI=1S/C11H17NO/c1-12-9-5-8-11(12)7-4-2-3-6-10(11)13/h2,4H,3,5-9H2,1H3
InChIKeyPNKCXVVNIKNWMG-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.76
Rot. Bonds

About 1-methyl-1-azaspiro[4.6]undec-9-en-6-one

1-methyl-1-azaspiro[4.6]undec-9-en-6-one (PubChem CID 157412332) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-methyl-1-azaspiro[4.6]undec-9-en-6-one.

Molecular Properties

Compound Name1-methyl-1-azaspiro[4.6]undec-9-en-6-one
PubChem CID157412332
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-methyl-1-azaspiro[4.6]undec-9-en-6-one
SMILESCN1CCCC12CC=CCCC2=O
InChIInChI=1S/C11H17NO/c1-12-9-5-8-11(12)7-4-2-3-6-10(11)13/h2,4H,3,5-9H2,1H3
InChIKeyPNKCXVVNIKNWMG-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-azaspiro[4.6]undec-9-en-6-one?
The IUPAC name of 1-methyl-1-azaspiro[4.6]undec-9-en-6-one (CID 157412332) is 1-methyl-1-azaspiro[4.6]undec-9-en-6-one.
What is the SMILES notation for 1-methyl-1-azaspiro[4.6]undec-9-en-6-one?
The canonical SMILES for 1-methyl-1-azaspiro[4.6]undec-9-en-6-one is CN1CCCC12CC=CCCC2=O.
What is the InChIKey of 1-methyl-1-azaspiro[4.6]undec-9-en-6-one?
The InChIKey is PNKCXVVNIKNWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-9-5-8-11(12)7-4-2-3-6-10(11)13/h2,4H,3,5-9H2,1H3.
What are the key properties of 1-methyl-1-azaspiro[4.6]undec-9-en-6-one?
1-methyl-1-azaspiro[4.6]undec-9-en-6-one has a molecular weight of 179.26 g/mol, XLogP of 1.76, 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[4.6]undec-9-en-6-one is sourced from PubChem (CID 157412332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).