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

C10H19NO2 — CID 135175938

IUPAC(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one
SMILESCOCCNC/C=C/C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)10(12)5-4-6-11-7-8-13-3/h4-5,9,11H,6-8H2,1-3H3/b5-4+
InChIKeyZORFFJZSZMCPDN-SNAWJCMRSA-N
MW185.27 g/mol
LogP1.00
Rot. Bonds7

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

(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one (PubChem CID 135175938) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one
PubChem CID135175938
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one
SMILESCOCCNC/C=C/C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)10(12)5-4-6-11-7-8-13-3/h4-5,9,11H,6-8H2,1-3H3/b5-4+
InChIKeyZORFFJZSZMCPDN-SNAWJCMRSA-N
XLogP1.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethylamino)-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one (CID 135175938) is (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one is COCCNC/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one?
The InChIKey is ZORFFJZSZMCPDN-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)10(12)5-4-6-11-7-8-13-3/h4-5,9,11H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one?
(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one is sourced from PubChem (CID 135175938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).