(E)-4-ethyl-6-methyliminohex-4-en-2-one

C9H15NO — CID 145332475

IUPAC(E)-4-ethyl-6-methyliminohex-4-en-2-one
SMILESCC/C(=C\C=N\C)CC(C)=O
InChIInChI=1S/C9H15NO/c1-4-9(5-6-10-3)7-8(2)11/h5-6H,4,7H2,1-3H3/b9-5+,10-6+
InChIKeyPSUKZYTWYDYUFU-NXZHAISVSA-N
MW153.22 g/mol
LogP2.00
Rot. Bonds4

About (E)-4-ethyl-6-methyliminohex-4-en-2-one

(E)-4-ethyl-6-methyliminohex-4-en-2-one (PubChem CID 145332475) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-4-ethyl-6-methyliminohex-4-en-2-one.

Molecular Properties

Compound Name(E)-4-ethyl-6-methyliminohex-4-en-2-one
PubChem CID145332475
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-4-ethyl-6-methyliminohex-4-en-2-one
SMILESCC/C(=C\C=N\C)CC(C)=O
InChIInChI=1S/C9H15NO/c1-4-9(5-6-10-3)7-8(2)11/h5-6H,4,7H2,1-3H3/b9-5+,10-6+
InChIKeyPSUKZYTWYDYUFU-NXZHAISVSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-6-methyliminohex-4-en-2-one?
The IUPAC name of (E)-4-ethyl-6-methyliminohex-4-en-2-one (CID 145332475) is (E)-4-ethyl-6-methyliminohex-4-en-2-one.
What is the SMILES notation for (E)-4-ethyl-6-methyliminohex-4-en-2-one?
The canonical SMILES for (E)-4-ethyl-6-methyliminohex-4-en-2-one is CC/C(=C\C=N\C)CC(C)=O.
What is the InChIKey of (E)-4-ethyl-6-methyliminohex-4-en-2-one?
The InChIKey is PSUKZYTWYDYUFU-NXZHAISVSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9(5-6-10-3)7-8(2)11/h5-6H,4,7H2,1-3H3/b9-5+,10-6+.
What are the key properties of (E)-4-ethyl-6-methyliminohex-4-en-2-one?
(E)-4-ethyl-6-methyliminohex-4-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-6-methyliminohex-4-en-2-one is sourced from PubChem (CID 145332475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).