(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one

C10H17NO — CID 130427312

IUPAC(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one
SMILESC=C/C(=C\C)C(=O)CCN(C)C
InChIInChI=1S/C10H17NO/c1-5-9(6-2)10(12)7-8-11(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+
InChIKeyNZOPCSCIWMCUTH-RMKNXTFCSA-N
MW167.25 g/mol
LogP1.64
Rot. Bonds5

About (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one

(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one (PubChem CID 130427312) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one
PubChem CID130427312
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one
SMILESC=C/C(=C\C)C(=O)CCN(C)C
InChIInChI=1S/C10H17NO/c1-5-9(6-2)10(12)7-8-11(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+
InChIKeyNZOPCSCIWMCUTH-RMKNXTFCSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one?
The IUPAC name of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one (CID 130427312) is (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one.
What is the SMILES notation for (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one?
The canonical SMILES for (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one is C=C/C(=C\C)C(=O)CCN(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one?
The InChIKey is NZOPCSCIWMCUTH-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9(6-2)10(12)7-8-11(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+.
What are the key properties of (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one?
(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-4-ethenylhex-4-en-3-one is sourced from PubChem (CID 130427312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).