(E)-4-(diethylamino)but-2-en-1-ol

C8H17NO — CID 11126386

IUPAC(E)-4-(diethylamino)but-2-en-1-ol
SMILESCCN(CC)C/C=C/CO
InChIInChI=1S/C8H17NO/c1-3-9(4-2)7-5-6-8-10/h5-6,10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyYMJFIHWYTLHXSB-AATRIKPKSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds5

About (E)-4-(diethylamino)but-2-en-1-ol

(E)-4-(diethylamino)but-2-en-1-ol (PubChem CID 11126386) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-4-(diethylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(diethylamino)but-2-en-1-ol
PubChem CID11126386
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-4-(diethylamino)but-2-en-1-ol
SMILESCCN(CC)C/C=C/CO
InChIInChI=1S/C8H17NO/c1-3-9(4-2)7-5-6-8-10/h5-6,10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyYMJFIHWYTLHXSB-AATRIKPKSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(diethylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(diethylamino)but-2-en-1-ol (CID 11126386) is (E)-4-(diethylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(diethylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(diethylamino)but-2-en-1-ol is CCN(CC)C/C=C/CO.
What is the InChIKey of (E)-4-(diethylamino)but-2-en-1-ol?
The InChIKey is YMJFIHWYTLHXSB-AATRIKPKSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-9(4-2)7-5-6-8-10/h5-6,10H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-4-(diethylamino)but-2-en-1-ol?
(E)-4-(diethylamino)but-2-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(diethylamino)but-2-en-1-ol is sourced from PubChem (CID 11126386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).