ethyl 2-methylidenepyrrolidine-1-carboxylate

C8H13NO2 — CID 15313147

IUPACethyl 2-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CCCN1C(=O)OCC
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h2-6H2,1H3
InChIKeyYEBUFPORBCSUMB-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

About ethyl 2-methylidenepyrrolidine-1-carboxylate

ethyl 2-methylidenepyrrolidine-1-carboxylate (PubChem CID 15313147) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 2-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylidenepyrrolidine-1-carboxylate
PubChem CID15313147
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 2-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CCCN1C(=O)OCC
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h2-6H2,1H3
InChIKeyYEBUFPORBCSUMB-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-methylidenepyrrolidine-1-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 2-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-methylidenepyrrolidine-1-carboxylate (CID 15313147) is ethyl 2-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-methylidenepyrrolidine-1-carboxylate is C=C1CCCN1C(=O)OCC.
What is the InChIKey of ethyl 2-methylidenepyrrolidine-1-carboxylate?
The InChIKey is YEBUFPORBCSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h2-6H2,1H3.
What are the key properties of ethyl 2-methylidenepyrrolidine-1-carboxylate?
ethyl 2-methylidenepyrrolidine-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 15313147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).