ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate

C11H19NO3 — CID 13156758

IUPACethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate
SMILESCCOC(=O)/C(=C/N1CCOCC1)CC
InChIInChI=1S/C11H19NO3/c1-3-10(11(13)15-4-2)9-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3/b10-9+
InChIKeyZQGIKPITJIRLBX-MDZDMXLPSA-N
MW213.28 g/mol
LogP1.18
Rot. Bonds4

About ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate

ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate (PubChem CID 13156758) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate.

Molecular Properties

Compound Nameethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate
PubChem CID13156758
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate
SMILESCCOC(=O)/C(=C/N1CCOCC1)CC
InChIInChI=1S/C11H19NO3/c1-3-10(11(13)15-4-2)9-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3/b10-9+
InChIKeyZQGIKPITJIRLBX-MDZDMXLPSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Morpholinoethyl methacrylate
CID 76343
(3E)-3-(morpholin-4-ylmethylidene)oxolan-2-one
CID 11309905
Trimethyl-[2-(2-methylidenebutanoyloxy)ethyl]azanium
CID 9812969
2-Morpholin-4-ylethyl 2-methylprop-2-enoate;hydrofluoride
CID 9859269
Morpholin-4-ylmethyl 2-methylidenebutanoate
CID 13741957
2-Morpholin-4-ylpropyl 2-methylprop-2-enoate
CID 18464089
ethyl (2Z)-2-(dimethylaminomethylidene)butanoate
CID 19389178
1-Morpholin-4-ylethyl 2-methylprop-2-enoate
CID 19598999
1-Morpholin-4-ylpropyl 2-methylprop-2-enoate
CID 20074538
2-(Morpholin-4-ylmethylidene)butanoic acid
CID 20981425
1-Morpholin-4-ylethyl 2-methylprop-2-enoate;hydrofluoride
CID 21224570
2-(4-Methylmorpholin-4-ium-4-yl)ethyl 2-methylprop-2-enoate chloride
CID 23062942

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate?
The IUPAC name of ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate (CID 13156758) is ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate.
What is the SMILES notation for ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate?
The canonical SMILES for ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate is CCOC(=O)/C(=C/N1CCOCC1)CC.
What is the InChIKey of ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate?
The InChIKey is ZQGIKPITJIRLBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(11(13)15-4-2)9-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3/b10-9+.
What are the key properties of ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate?
ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate has a molecular weight of 213.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate is sourced from PubChem (CID 13156758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).