ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate

C11H17NO3 — CID 154676193

IUPACethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
SMILESC=CCCC1(C(=O)OCC)CCC(=O)N1
InChIInChI=1S/C11H17NO3/c1-3-5-7-11(10(14)15-4-2)8-6-9(13)12-11/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeySCQUFNVMZDRTEP-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate

ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 154676193) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
PubChem CID154676193
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
SMILESC=CCCC1(C(=O)OCC)CCC(=O)N1
InChIInChI=1S/C11H17NO3/c1-3-5-7-11(10(14)15-4-2)8-6-9(13)12-11/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeySCQUFNVMZDRTEP-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl (2S)-5-oxo-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 56840521
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660
ethyl 2-[[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenyl]methyl]-5-oxopyrrolidine-2-carboxylate
CID 143033051
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
ethyl (2S)-2-butanoyl-7-oxoazepane-2-carboxylate
CID 102070664
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
ethyl (2R)-2-butanoyl-7-oxoazepane-2-carboxylate
CID 102070667
ethyl 4-methyl-2-oxo-1-prop-2-enylcyclohex-3-ene-1-carboxylate
CID 138963660
ethyl (3aS,7aS)-2-oxo-7a-prop-2-enyl-4,5,6,7-tetrahydro-3H-1-benzofuran-3a-carboxylate
CID 71725973
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate (CID 154676193) is ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate is C=CCCC1(C(=O)OCC)CCC(=O)N1.
What is the InChIKey of ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is SCQUFNVMZDRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-7-11(10(14)15-4-2)8-6-9(13)12-11/h3H,1,4-8H2,2H3,(H,12,13).
What are the key properties of ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate?
ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 154676193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).