ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate

C10H15NO3 — CID 144760523

IUPACethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate
SMILESC=C(/C=C(/C=O)NC)CC(=O)OCC
InChIInChI=1S/C10H15NO3/c1-4-14-10(13)6-8(2)5-9(7-12)11-3/h5,7,11H,2,4,6H2,1,3H3/b9-5-
InChIKeyMAFTTYSSTSRBBZ-UITAMQMPSA-N
MW197.23 g/mol
LogP0.80
Rot. Bonds6

About ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate

ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate (PubChem CID 144760523) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate
PubChem CID144760523
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate
SMILESC=C(/C=C(/C=O)NC)CC(=O)OCC
InChIInChI=1S/C10H15NO3/c1-4-14-10(13)6-8(2)5-9(7-12)11-3/h5,7,11H,2,4,6H2,1,3H3/b9-5-
InChIKeyMAFTTYSSTSRBBZ-UITAMQMPSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87110467
diethyl (Z)-3,6-dioxooct-4-enedioate
CID 141136396
ethyl 2-oxoacetate;N-methylmethanamine
CID 162730007
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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate?
The IUPAC name of ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate (CID 144760523) is ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate.
What is the SMILES notation for ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate?
The canonical SMILES for ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate is C=C(/C=C(/C=O)NC)CC(=O)OCC.
What is the InChIKey of ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate?
The InChIKey is MAFTTYSSTSRBBZ-UITAMQMPSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-14-10(13)6-8(2)5-9(7-12)11-3/h5,7,11H,2,4,6H2,1,3H3/b9-5-.
What are the key properties of ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate?
ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate has a molecular weight of 197.23 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-(methylamino)-3-methylidene-6-oxohex-4-enoate is sourced from PubChem (CID 144760523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).