2-(diethylamino)but-2-enal

C8H15NO — CID 73308882

IUPAC2-(diethylamino)but-2-enal
SMILESCC=C(C=O)N(CC)CC
InChIInChI=1S/C8H15NO/c1-4-8(7-10)9(5-2)6-3/h4,7H,5-6H2,1-3H3
InChIKeyIEKWQAROFOREPL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds4

About 2-(diethylamino)but-2-enal

2-(diethylamino)but-2-enal (PubChem CID 73308882) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(diethylamino)but-2-enal.

Molecular Properties

Compound Name2-(diethylamino)but-2-enal
PubChem CID73308882
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(diethylamino)but-2-enal
SMILESCC=C(C=O)N(CC)CC
InChIInChI=1S/C8H15NO/c1-4-8(7-10)9(5-2)6-3/h4,7H,5-6H2,1-3H3
InChIKeyIEKWQAROFOREPL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)but-2-enal?
The IUPAC name of 2-(diethylamino)but-2-enal (CID 73308882) is 2-(diethylamino)but-2-enal.
What is the SMILES notation for 2-(diethylamino)but-2-enal?
The canonical SMILES for 2-(diethylamino)but-2-enal is CC=C(C=O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)but-2-enal?
The InChIKey is IEKWQAROFOREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(7-10)9(5-2)6-3/h4,7H,5-6H2,1-3H3.
What are the key properties of 2-(diethylamino)but-2-enal?
2-(diethylamino)but-2-enal has a molecular weight of 141.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)but-2-enal is sourced from PubChem (CID 73308882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).