2-methyl-2-azaspiro[5.5]undec-9-en-1-one

C11H17NO — CID 71421676

IUPAC2-methyl-2-azaspiro[5.5]undec-9-en-1-one
SMILESCN1CCCC2(CC=CCC2)C1=O
InChIInChI=1S/C11H17NO/c1-12-9-5-8-11(10(12)13)6-3-2-4-7-11/h2-3H,4-9H2,1H3
InChIKeyVRJCCNBHAJNTHD-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds

About 2-methyl-2-azaspiro[5.5]undec-9-en-1-one

2-methyl-2-azaspiro[5.5]undec-9-en-1-one (PubChem CID 71421676) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-2-azaspiro[5.5]undec-9-en-1-one.

Molecular Properties

Compound Name2-methyl-2-azaspiro[5.5]undec-9-en-1-one
PubChem CID71421676
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-2-azaspiro[5.5]undec-9-en-1-one
SMILESCN1CCCC2(CC=CCC2)C1=O
InChIInChI=1S/C11H17NO/c1-12-9-5-8-11(10(12)13)6-3-2-4-7-11/h2-3H,4-9H2,1H3
InChIKeyVRJCCNBHAJNTHD-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-2-azaspiro[5.5]undec-9-en-1-one?
The IUPAC name of 2-methyl-2-azaspiro[5.5]undec-9-en-1-one (CID 71421676) is 2-methyl-2-azaspiro[5.5]undec-9-en-1-one.
What is the SMILES notation for 2-methyl-2-azaspiro[5.5]undec-9-en-1-one?
The canonical SMILES for 2-methyl-2-azaspiro[5.5]undec-9-en-1-one is CN1CCCC2(CC=CCC2)C1=O.
What is the InChIKey of 2-methyl-2-azaspiro[5.5]undec-9-en-1-one?
The InChIKey is VRJCCNBHAJNTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-9-5-8-11(10(12)13)6-3-2-4-7-11/h2-3H,4-9H2,1H3.
What are the key properties of 2-methyl-2-azaspiro[5.5]undec-9-en-1-one?
2-methyl-2-azaspiro[5.5]undec-9-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azaspiro[5.5]undec-9-en-1-one is sourced from PubChem (CID 71421676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).