ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate

C10H17NO2 — CID 736204

IUPACethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate
SMILESCCOC(=O)/C=C(/C)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8-
InChIKeyMSOQKPXSIHLODG-HJWRWDBZSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds3

About ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate

ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate (PubChem CID 736204) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate
PubChem CID736204
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate
SMILESCCOC(=O)/C=C(/C)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8-
InChIKeyMSOQKPXSIHLODG-HJWRWDBZSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate?
The IUPAC name of ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate (CID 736204) is ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate?
The canonical SMILES for ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate is CCOC(=O)/C=C(/C)N1CCCC1.
What is the InChIKey of ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate?
The InChIKey is MSOQKPXSIHLODG-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8-.
What are the key properties of ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate?
ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate is sourced from PubChem (CID 736204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).