ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate

C12H19NO3 — CID 62677994

IUPACethyl 1-pent-4-enoylpyrrolidine-2-carboxylate
SMILESC=CCCC(=O)N1CCCC1C(=O)OCC
InChIInChI=1S/C12H19NO3/c1-3-5-8-11(14)13-9-6-7-10(13)12(15)16-4-2/h3,10H,1,4-9H2,2H3
InChIKeyFERGQPFESMCYHJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.51
Rot. Bonds5

About ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate

ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate (PubChem CID 62677994) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-pent-4-enoylpyrrolidine-2-carboxylate
PubChem CID62677994
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 1-pent-4-enoylpyrrolidine-2-carboxylate
SMILESC=CCCC(=O)N1CCCC1C(=O)OCC
InChIInChI=1S/C12H19NO3/c1-3-5-8-11(14)13-9-6-7-10(13)12(15)16-4-2/h3,10H,1,4-9H2,2H3
InChIKeyFERGQPFESMCYHJ-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate (CID 62677994) is ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate is C=CCCC(=O)N1CCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate?
The InChIKey is FERGQPFESMCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-5-8-11(14)13-9-6-7-10(13)12(15)16-4-2/h3,10H,1,4-9H2,2H3.
What are the key properties of ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate?
ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 62677994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).