diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate

C13H17NO4 — CID 86258713

IUPACdiethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(C2CC2)cc1C(=O)OCC
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)10-7-14(9-5-6-9)8-11(10)13(16)18-4-2/h7-9H,3-6H2,1-2H3
InChIKeyFPSCPIZEJLPHBE-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.18
Rot. Bonds5

About diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate

diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate (PubChem CID 86258713) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
PubChem CID86258713
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namediethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(C2CC2)cc1C(=O)OCC
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)10-7-14(9-5-6-9)8-11(10)13(16)18-4-2/h7-9H,3-6H2,1-2H3
InChIKeyFPSCPIZEJLPHBE-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-amino-1-cyclobutylpyrrole-3-carboxylate
CID 176705743
ethyl 1-cyclopropyl-5,6-dimethylidene-4-oxopyridine-3-carboxylate
CID 123582149
ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
CID 58861331
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
CID 23113343
diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate
CID 101478665
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 1-(cyclopropylmethyl)-3-iodopyrazole-4-carboxylate
CID 153484158
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986
ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate
CID 125452498
diethyl 1-cyclopropyl-5,7,8-trifluoro-4-oxoquinoline-3,6-dicarboxylate
CID 10524013

Frequently Asked Questions

What is the IUPAC name of diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate?
The IUPAC name of diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate (CID 86258713) is diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate?
The canonical SMILES for diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate is CCOC(=O)c1cn(C2CC2)cc1C(=O)OCC.
What is the InChIKey of diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate?
The InChIKey is FPSCPIZEJLPHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-12(15)10-7-14(9-5-6-9)8-11(10)13(16)18-4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate?
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 86258713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).