2,4-dimethyl-3-oxonon-4-enamide

C11H19NO2 — CID 162816225

IUPAC2,4-dimethyl-3-oxonon-4-enamide
SMILESCCCCC=C(C)C(=O)C(C)C(N)=O
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-8(2)10(13)9(3)11(12)14/h7,9H,4-6H2,1-3H3,(H2,12,14)
InChIKeyJZDUBTRQFFMDRN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.81
Rot. Bonds6

About 2,4-dimethyl-3-oxonon-4-enamide

2,4-dimethyl-3-oxonon-4-enamide (PubChem CID 162816225) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,4-dimethyl-3-oxonon-4-enamide.

Molecular Properties

Compound Name2,4-dimethyl-3-oxonon-4-enamide
PubChem CID162816225
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,4-dimethyl-3-oxonon-4-enamide
SMILESCCCCC=C(C)C(=O)C(C)C(N)=O
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-8(2)10(13)9(3)11(12)14/h7,9H,4-6H2,1-3H3,(H2,12,14)
InChIKeyJZDUBTRQFFMDRN-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-oxonon-4-enamide?
The IUPAC name of 2,4-dimethyl-3-oxonon-4-enamide (CID 162816225) is 2,4-dimethyl-3-oxonon-4-enamide.
What is the SMILES notation for 2,4-dimethyl-3-oxonon-4-enamide?
The canonical SMILES for 2,4-dimethyl-3-oxonon-4-enamide is CCCCC=C(C)C(=O)C(C)C(N)=O.
What is the InChIKey of 2,4-dimethyl-3-oxonon-4-enamide?
The InChIKey is JZDUBTRQFFMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-6-7-8(2)10(13)9(3)11(12)14/h7,9H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 2,4-dimethyl-3-oxonon-4-enamide?
2,4-dimethyl-3-oxonon-4-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-oxonon-4-enamide is sourced from PubChem (CID 162816225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).