(E)-2,4-dimethyl-3-oxonon-4-enamide

C11H19NO2 — CID 139589508

IUPAC(E)-2,4-dimethyl-3-oxonon-4-enamide
SMILESCCCC/C=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)/b8-7+
InChIKeyJZDUBTRQFFMDRN-BQYQJAHWSA-N
MW197.28 g/mol
LogP1.81
Rot. Bonds6

About (E)-2,4-dimethyl-3-oxonon-4-enamide

(E)-2,4-dimethyl-3-oxonon-4-enamide (PubChem CID 139589508) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-2,4-dimethyl-3-oxonon-4-enamide.

Molecular Properties

Compound Name(E)-2,4-dimethyl-3-oxonon-4-enamide
PubChem CID139589508
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-2,4-dimethyl-3-oxonon-4-enamide
SMILESCCCC/C=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)/b8-7+
InChIKeyJZDUBTRQFFMDRN-BQYQJAHWSA-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 (E)-2,4-dimethyl-3-oxonon-4-enamide?
The IUPAC name of (E)-2,4-dimethyl-3-oxonon-4-enamide (CID 139589508) is (E)-2,4-dimethyl-3-oxonon-4-enamide.
What is the SMILES notation for (E)-2,4-dimethyl-3-oxonon-4-enamide?
The canonical SMILES for (E)-2,4-dimethyl-3-oxonon-4-enamide is CCCC/C=C(\C)C(=O)C(C)C(N)=O.
What is the InChIKey of (E)-2,4-dimethyl-3-oxonon-4-enamide?
The InChIKey is JZDUBTRQFFMDRN-BQYQJAHWSA-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)/b8-7+.
What are the key properties of (E)-2,4-dimethyl-3-oxonon-4-enamide?
(E)-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 (E)-2,4-dimethyl-3-oxonon-4-enamide is sourced from PubChem (CID 139589508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).