ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate

C10H17NO4 — CID 138572235

IUPACethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate
SMILESCCOC(=O)/C(O)=C/C(=O)N(CC)CC
InChIInChI=1S/C10H17NO4/c1-4-11(5-2)9(13)7-8(12)10(14)15-6-3/h7,12H,4-6H2,1-3H3/b8-7-
InChIKeyCSULJDVIKHMDGW-FPLPWBNLSA-N
MW215.25 g/mol
LogP0.86
Rot. Bonds5

About ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate

ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate (PubChem CID 138572235) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate
PubChem CID138572235
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate
SMILESCCOC(=O)/C(O)=C/C(=O)N(CC)CC
InChIInChI=1S/C10H17NO4/c1-4-11(5-2)9(13)7-8(12)10(14)15-6-3/h7,12H,4-6H2,1-3H3/b8-7-
InChIKeyCSULJDVIKHMDGW-FPLPWBNLSA-N
XLogP0.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-hydroxyhexa-2,4-dienoate
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ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
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CID 159370772
CID 159370772
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CID 159689459
CID 159689459

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate?
The IUPAC name of ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate (CID 138572235) is ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate.
What is the SMILES notation for ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate?
The canonical SMILES for ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate is CCOC(=O)/C(O)=C/C(=O)N(CC)CC.
What is the InChIKey of ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate?
The InChIKey is CSULJDVIKHMDGW-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-11(5-2)9(13)7-8(12)10(14)15-6-3/h7,12H,4-6H2,1-3H3/b8-7-.
What are the key properties of ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate?
ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate is sourced from PubChem (CID 138572235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).