4-ethenyl-6-methylazonan-2-one

C11H19NO — CID 146318280

IUPAC4-ethenyl-6-methylazonan-2-one
SMILESC=CC1CC(=O)NCCCC(C)C1
InChIInChI=1S/C11H19NO/c1-3-10-7-9(2)5-4-6-12-11(13)8-10/h3,9-10H,1,4-8H2,2H3,(H,12,13)
InChIKeyQHLXNCRPJNVDIZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds1

About 4-ethenyl-6-methylazonan-2-one

4-ethenyl-6-methylazonan-2-one (PubChem CID 146318280) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-ethenyl-6-methylazonan-2-one.

Molecular Properties

Compound Name4-ethenyl-6-methylazonan-2-one
PubChem CID146318280
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-ethenyl-6-methylazonan-2-one
SMILESC=CC1CC(=O)NCCCC(C)C1
InChIInChI=1S/C11H19NO/c1-3-10-7-9(2)5-4-6-12-11(13)8-10/h3,9-10H,1,4-8H2,2H3,(H,12,13)
InChIKeyQHLXNCRPJNVDIZ-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.11
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-ethenyl-6-methylazonan-2-one?
The IUPAC name of 4-ethenyl-6-methylazonan-2-one (CID 146318280) is 4-ethenyl-6-methylazonan-2-one.
What is the SMILES notation for 4-ethenyl-6-methylazonan-2-one?
The canonical SMILES for 4-ethenyl-6-methylazonan-2-one is C=CC1CC(=O)NCCCC(C)C1.
What is the InChIKey of 4-ethenyl-6-methylazonan-2-one?
The InChIKey is QHLXNCRPJNVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10-7-9(2)5-4-6-12-11(13)8-10/h3,9-10H,1,4-8H2,2H3,(H,12,13).
What are the key properties of 4-ethenyl-6-methylazonan-2-one?
4-ethenyl-6-methylazonan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methylazonan-2-one is sourced from PubChem (CID 146318280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).