ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate

C10H15NO3 — CID 23034689

IUPACethyl 1-prop-2-enoylpyrrolidine-3-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCC)C1
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-5-8(7-11)10(13)14-4-2/h3,8H,1,4-7H2,2H3
InChIKeyQTSWXYJKNNZFOP-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.58
Rot. Bonds3

About ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate

ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate (PubChem CID 23034689) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-prop-2-enoylpyrrolidine-3-carboxylate
PubChem CID23034689
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 1-prop-2-enoylpyrrolidine-3-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCC)C1
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-5-8(7-11)10(13)14-4-2/h3,8H,1,4-7H2,2H3
InChIKeyQTSWXYJKNNZFOP-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.58
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 1-prop-2-enoylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate (CID 23034689) is ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate is C=CC(=O)N1CCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate?
The InChIKey is QTSWXYJKNNZFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-9(12)11-6-5-8(7-11)10(13)14-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate?
ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-prop-2-enoylpyrrolidine-3-carboxylate is sourced from PubChem (CID 23034689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).