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

C11H17NO — CID 164681967

IUPAC4-methyl-1-azaspiro[5.5]undec-4-en-2-one
SMILESCC1=CC2(CCCCC2)NC(=O)C1
InChIInChI=1S/C11H17NO/c1-9-7-10(13)12-11(8-9)5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyBUAGGYCYYUCGKB-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds

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

4-methyl-1-azaspiro[5.5]undec-4-en-2-one (PubChem CID 164681967) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methyl-1-azaspiro[5.5]undec-4-en-2-one.

Molecular Properties

Compound Name4-methyl-1-azaspiro[5.5]undec-4-en-2-one
PubChem CID164681967
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methyl-1-azaspiro[5.5]undec-4-en-2-one
SMILESCC1=CC2(CCCCC2)NC(=O)C1
InChIInChI=1S/C11H17NO/c1-9-7-10(13)12-11(8-9)5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyBUAGGYCYYUCGKB-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
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 4-methyl-1-azaspiro[5.5]undec-4-en-2-one?
The IUPAC name of 4-methyl-1-azaspiro[5.5]undec-4-en-2-one (CID 164681967) is 4-methyl-1-azaspiro[5.5]undec-4-en-2-one.
What is the SMILES notation for 4-methyl-1-azaspiro[5.5]undec-4-en-2-one?
The canonical SMILES for 4-methyl-1-azaspiro[5.5]undec-4-en-2-one is CC1=CC2(CCCCC2)NC(=O)C1.
What is the InChIKey of 4-methyl-1-azaspiro[5.5]undec-4-en-2-one?
The InChIKey is BUAGGYCYYUCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-7-10(13)12-11(8-9)5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-methyl-1-azaspiro[5.5]undec-4-en-2-one?
4-methyl-1-azaspiro[5.5]undec-4-en-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-azaspiro[5.5]undec-4-en-2-one is sourced from PubChem (CID 164681967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).