2-(diethylamino)ethyl (E)-but-2-enoate

C10H19NO2 — CID 5476376

IUPAC2-(diethylamino)ethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCN(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-7-10(12)13-9-8-11(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyLROKBBBYXPDNEJ-QPJJXVBHSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds6

About 2-(diethylamino)ethyl (E)-but-2-enoate

2-(diethylamino)ethyl (E)-but-2-enoate (PubChem CID 5476376) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (E)-but-2-enoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl (E)-but-2-enoate
PubChem CID5476376
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(diethylamino)ethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCN(CC)CC
InChIInChI=1S/C10H19NO2/c1-4-7-10(12)13-9-8-11(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyLROKBBBYXPDNEJ-QPJJXVBHSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(diethylamino)ethyl (E)-but-2-enoate?
The IUPAC name of 2-(diethylamino)ethyl (E)-but-2-enoate (CID 5476376) is 2-(diethylamino)ethyl (E)-but-2-enoate.
What is the SMILES notation for 2-(diethylamino)ethyl (E)-but-2-enoate?
The canonical SMILES for 2-(diethylamino)ethyl (E)-but-2-enoate is C/C=C/C(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl (E)-but-2-enoate?
The InChIKey is LROKBBBYXPDNEJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-10(12)13-9-8-11(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of 2-(diethylamino)ethyl (E)-but-2-enoate?
2-(diethylamino)ethyl (E)-but-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (E)-but-2-enoate is sourced from PubChem (CID 5476376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).