ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate

C11H17NO3 — CID 11390202

IUPACethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate
SMILESCCOC(=O)/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)7-6-10(13)12-8-4-3-5-9-12/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyCORXCPKLTMAZFB-VOTSOKGWSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds3

About ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate

ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate (PubChem CID 11390202) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate
PubChem CID11390202
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate
SMILESCCOC(=O)/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)7-6-10(13)12-8-4-3-5-9-12/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyCORXCPKLTMAZFB-VOTSOKGWSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
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

diethyl (2E,2'E)-4,4'-piperazine-1,4-diylbis(4-oxobut-2-enoate)
CID 5761510
Compound NG
CID 6439698
Fumaric acid, monoamide, N,N-dihexyl-, hexyl ester
CID 91705272
Fumaric acid, monoamide, N,N-dihexyl-, propyl ester
CID 91705275
Fumaric acid, monoamide, N,N-dihexyl-, isobutyl ester
CID 91705289
Fumaric acid, monoamide, N,N-dihexyl-, ethyl ester
CID 91712963
Fumaric acid, monoamide, N,N-diheptyl-, ethyl ester
CID 91713026
Fumaric acid, monoamide, N,N-dioctyl-, ethyl ester
CID 91713036
Fumaric acid, monoamide, N,N-diheptyl-, isobutyl ester
CID 91713235
Fumaric acid, monoamide, N,N-diheptyl-, pentyl ester
CID 91713236
Fumaric acid, monoamide, N,N-diheptyl-, butyl ester
CID 91713237
Fumaric acid, monoamide, N,N-dioctyl-, propyl ester
CID 91737607

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate?
The IUPAC name of ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate (CID 11390202) is ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate is CCOC(=O)/C=C/C(=O)N1CCCCC1.
What is the InChIKey of ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate?
The InChIKey is CORXCPKLTMAZFB-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-15-11(14)7-6-10(13)12-8-4-3-5-9-12/h6-7H,2-5,8-9H2,1H3/b7-6+.
What are the key properties of ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate?
ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-oxo-4-piperidin-1-ylbut-2-enoate is sourced from PubChem (CID 11390202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).