(E)-6-(diethylamino)-2-methylhex-4-en-3-one

C11H21NO — CID 14765503

IUPAC(E)-6-(diethylamino)-2-methylhex-4-en-3-one
SMILESCCN(CC)C/C=C/C(=O)C(C)C
InChIInChI=1S/C11H21NO/c1-5-12(6-2)9-7-8-11(13)10(3)4/h7-8,10H,5-6,9H2,1-4H3/b8-7+
InChIKeyHSMGZMIFOPDVPR-BQYQJAHWSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About (E)-6-(diethylamino)-2-methylhex-4-en-3-one

(E)-6-(diethylamino)-2-methylhex-4-en-3-one (PubChem CID 14765503) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-6-(diethylamino)-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-(diethylamino)-2-methylhex-4-en-3-one
PubChem CID14765503
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-6-(diethylamino)-2-methylhex-4-en-3-one
SMILESCCN(CC)C/C=C/C(=O)C(C)C
InChIInChI=1S/C11H21NO/c1-5-12(6-2)9-7-8-11(13)10(3)4/h7-8,10H,5-6,9H2,1-4H3/b8-7+
InChIKeyHSMGZMIFOPDVPR-BQYQJAHWSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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)-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-(diethylamino)-2-methylhex-4-en-3-one (CID 14765503) is (E)-6-(diethylamino)-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-(diethylamino)-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-(diethylamino)-2-methylhex-4-en-3-one is CCN(CC)C/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-6-(diethylamino)-2-methylhex-4-en-3-one?
The InChIKey is HSMGZMIFOPDVPR-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-12(6-2)9-7-8-11(13)10(3)4/h7-8,10H,5-6,9H2,1-4H3/b8-7+.
What are the key properties of (E)-6-(diethylamino)-2-methylhex-4-en-3-one?
(E)-6-(diethylamino)-2-methylhex-4-en-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(diethylamino)-2-methylhex-4-en-3-one is sourced from PubChem (CID 14765503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).