ethyl 1-propylpyrrolidine-3-carboxylate

C10H19NO2 — CID 83981011

IUPACethyl 1-propylpyrrolidine-3-carboxylate
SMILESCCCN1CCC(C(=O)OCC)C1
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-5-9(8-11)10(12)13-4-2/h9H,3-8H2,1-2H3
InChIKeyYUGRKHFOWSVJMA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds4

About ethyl 1-propylpyrrolidine-3-carboxylate

ethyl 1-propylpyrrolidine-3-carboxylate (PubChem CID 83981011) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 1-propylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-propylpyrrolidine-3-carboxylate
PubChem CID83981011
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 1-propylpyrrolidine-3-carboxylate
SMILESCCCN1CCC(C(=O)OCC)C1
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-5-9(8-11)10(12)13-4-2/h9H,3-8H2,1-2H3
InChIKeyYUGRKHFOWSVJMA-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-propylpyrrolidine-3-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-propylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-propylpyrrolidine-3-carboxylate (CID 83981011) is ethyl 1-propylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-propylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-propylpyrrolidine-3-carboxylate is CCCN1CCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-propylpyrrolidine-3-carboxylate?
The InChIKey is YUGRKHFOWSVJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-6-11-7-5-9(8-11)10(12)13-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-propylpyrrolidine-3-carboxylate?
ethyl 1-propylpyrrolidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propylpyrrolidine-3-carboxylate is sourced from PubChem (CID 83981011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).