(E)-6-(diethylamino)hex-4-en-3-one

C10H19NO — CID 14765501

IUPAC(E)-6-(diethylamino)hex-4-en-3-one
SMILESCCC(=O)/C=C/CN(CC)CC
InChIInChI=1S/C10H19NO/c1-4-10(12)8-7-9-11(5-2)6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChIKeyDBHBPQKAEFQXNY-BQYQJAHWSA-N
MW169.27 g/mol
LogP1.86
Rot. Bonds6

About (E)-6-(diethylamino)hex-4-en-3-one

(E)-6-(diethylamino)hex-4-en-3-one (PubChem CID 14765501) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-6-(diethylamino)hex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-(diethylamino)hex-4-en-3-one
PubChem CID14765501
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-6-(diethylamino)hex-4-en-3-one
SMILESCCC(=O)/C=C/CN(CC)CC
InChIInChI=1S/C10H19NO/c1-4-10(12)8-7-9-11(5-2)6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
InChIKeyDBHBPQKAEFQXNY-BQYQJAHWSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-(diethylamino)hex-4-en-3-one?
The IUPAC name of (E)-6-(diethylamino)hex-4-en-3-one (CID 14765501) is (E)-6-(diethylamino)hex-4-en-3-one.
What is the SMILES notation for (E)-6-(diethylamino)hex-4-en-3-one?
The canonical SMILES for (E)-6-(diethylamino)hex-4-en-3-one is CCC(=O)/C=C/CN(CC)CC.
What is the InChIKey of (E)-6-(diethylamino)hex-4-en-3-one?
The InChIKey is DBHBPQKAEFQXNY-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12)8-7-9-11(5-2)6-3/h7-8H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of (E)-6-(diethylamino)hex-4-en-3-one?
(E)-6-(diethylamino)hex-4-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(diethylamino)hex-4-en-3-one is sourced from PubChem (CID 14765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).