(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one

C11H19NO — CID 145242415

IUPAC(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one
SMILESCC/N=C/C=C(\C)C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-12-8-7-9(2)10(13)11(3,4)5/h7-8H,6H2,1-5H3/b9-7+,12-8+
InChIKeyWFXVFSQVUMUQKY-BRVZEXMBSA-N
MW181.28 g/mol
LogP2.64
Rot. Bonds3

About (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one

(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one (PubChem CID 145242415) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one
PubChem CID145242415
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one
SMILESCC/N=C/C=C(\C)C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-12-8-7-9(2)10(13)11(3,4)5/h7-8H,6H2,1-5H3/b9-7+,12-8+
InChIKeyWFXVFSQVUMUQKY-BRVZEXMBSA-N
XLogP2.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one?
The IUPAC name of (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one (CID 145242415) is (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one.
What is the SMILES notation for (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one?
The canonical SMILES for (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one is CC/N=C/C=C(\C)C(=O)C(C)(C)C.
What is the InChIKey of (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one?
The InChIKey is WFXVFSQVUMUQKY-BRVZEXMBSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-12-8-7-9(2)10(13)11(3,4)5/h7-8H,6H2,1-5H3/b9-7+,12-8+.
What are the key properties of (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one?
(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one is sourced from PubChem (CID 145242415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).