(E)-2-(diethylamino)pent-2-enoate

C9H16NO2- — CID 23617746

IUPAC(E)-2-(diethylamino)pent-2-enoate
SMILESCC/C=C(\C(=O)[O-])N(CC)CC
InChIInChI=1S/C9H17NO2/c1-4-7-8(9(11)12)10(5-2)6-3/h7H,4-6H2,1-3H3,(H,11,12)/p-1/b8-7+
InChIKeyGXHIHOVCBXGGNK-BQYQJAHWSA-M
MW170.23 g/mol
LogP0.37
Rot. Bonds5

About (E)-2-(diethylamino)pent-2-enoate

(E)-2-(diethylamino)pent-2-enoate (PubChem CID 23617746) has the molecular formula C9H16NO2- and a molecular weight of 170.23 g/mol. Its IUPAC name is (E)-2-(diethylamino)pent-2-enoate.

Molecular Properties

Compound Name(E)-2-(diethylamino)pent-2-enoate
PubChem CID23617746
Molecular FormulaC9H16NO2-
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name(E)-2-(diethylamino)pent-2-enoate
SMILESCC/C=C(\C(=O)[O-])N(CC)CC
InChIInChI=1S/C9H17NO2/c1-4-7-8(9(11)12)10(5-2)6-3/h7H,4-6H2,1-3H3,(H,11,12)/p-1/b8-7+
InChIKeyGXHIHOVCBXGGNK-BQYQJAHWSA-M
XLogP0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.37
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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Related Compounds

(E)-2-methylpent-2-enoate
CID 7006461
(E)-3-(diethylamino)-2-methylpent-2-enoic acid;(E)-2-(diethylamino)pent-2-enoic acid
CID 87949067
(Z)-1-hydroxy-1-oxopent-2-en-2-olate
CID 54687411
sodium (Z)-2-propylpent-2-enoate
CID 23705024
1-[ethyl(methyl)amino]but-1-en-1-olate
CID 123695305
N,N-diethyl-8-methylnon-7-enamide
CID 11458780
2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid
CID 61021093
N-ethyl-N-hexylcarbamate
CID 53442022
(E)-1-N,1-N',1-N'-triethyl-1-N-methylbut-1-ene-1,1-diamine
CID 129301990
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpent-2-enamide
CID 79381166
(E)-5-(diethylamino)-2-methylpent-2-enoate
CID 23330271

Frequently Asked Questions

What is the IUPAC name of (E)-2-(diethylamino)pent-2-enoate?
The IUPAC name of (E)-2-(diethylamino)pent-2-enoate (CID 23617746) is (E)-2-(diethylamino)pent-2-enoate.
What is the SMILES notation for (E)-2-(diethylamino)pent-2-enoate?
The canonical SMILES for (E)-2-(diethylamino)pent-2-enoate is CC/C=C(\C(=O)[O-])N(CC)CC.
What is the InChIKey of (E)-2-(diethylamino)pent-2-enoate?
The InChIKey is GXHIHOVCBXGGNK-BQYQJAHWSA-M. The full InChI is InChI=1S/C9H17NO2/c1-4-7-8(9(11)12)10(5-2)6-3/h7H,4-6H2,1-3H3,(H,11,12)/p-1/b8-7+.
What are the key properties of (E)-2-(diethylamino)pent-2-enoate?
(E)-2-(diethylamino)pent-2-enoate has a molecular weight of 170.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(diethylamino)pent-2-enoate is sourced from PubChem (CID 23617746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).