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

C8H15NO — CID 14765495

IUPAC(E)-6-(dimethylamino)hex-4-en-3-one
SMILESCCC(=O)/C=C/CN(C)C
InChIInChI=1S/C8H15NO/c1-4-8(10)6-5-7-9(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyVOPQWZMZPZLUHT-AATRIKPKSA-N
MW141.21 g/mol
LogP1.08
Rot. Bonds4

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

(E)-6-(dimethylamino)hex-4-en-3-one (PubChem CID 14765495) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-6-(dimethylamino)hex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-(dimethylamino)hex-4-en-3-one
PubChem CID14765495
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-6-(dimethylamino)hex-4-en-3-one
SMILESCCC(=O)/C=C/CN(C)C
InChIInChI=1S/C8H15NO/c1-4-8(10)6-5-7-9(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyVOPQWZMZPZLUHT-AATRIKPKSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.08
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-(dimethylamino)hex-4-en-3-one?
The IUPAC name of (E)-6-(dimethylamino)hex-4-en-3-one (CID 14765495) is (E)-6-(dimethylamino)hex-4-en-3-one.
What is the SMILES notation for (E)-6-(dimethylamino)hex-4-en-3-one?
The canonical SMILES for (E)-6-(dimethylamino)hex-4-en-3-one is CCC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-6-(dimethylamino)hex-4-en-3-one?
The InChIKey is VOPQWZMZPZLUHT-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10)6-5-7-9(2)3/h5-6H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-6-(dimethylamino)hex-4-en-3-one?
(E)-6-(dimethylamino)hex-4-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(dimethylamino)hex-4-en-3-one is sourced from PubChem (CID 14765495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).