bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride

C14H20ClN3O2 — CID 175361246

IUPACbicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)C1CNCC1C(N)=O.c1ccc2c(c1)CC2
InChIInChI=1S/C8H8.C6H11N3O2.ClH/c1-2-4-8-6-5-7(8)3-1;7-5(10)3-1-9-2-4(3)6(8)11;/h1-4H,5-6H2;3-4,9H,1-2H2,(H2,7,10)(H2,8,11);1H
InChIKeyIVFSOOGNUOXEQP-UHFFFAOYSA-N
MW297.79 g/mol
LogP-0.00
Rot. Bonds2

About bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride

bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 175361246) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID175361246
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Namebicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCl.NC(=O)C1CNCC1C(N)=O.c1ccc2c(c1)CC2
InChIInChI=1S/C8H8.C6H11N3O2.ClH/c1-2-4-8-6-5-7(8)3-1;7-5(10)3-1-9-2-4(3)6(8)11;/h1-4H,5-6H2;3-4,9H,1-2H2,(H2,7,10)(H2,8,11);1H
InChIKeyIVFSOOGNUOXEQP-UHFFFAOYSA-N
XLogP-0.00
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride 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 bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride (CID 175361246) is bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride is Cl.NC(=O)C1CNCC1C(N)=O.c1ccc2c(c1)CC2.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is IVFSOOGNUOXEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H11N3O2.ClH/c1-2-4-8-6-5-7(8)3-1;7-5(10)3-1-9-2-4(3)6(8)11;/h1-4H,5-6H2;3-4,9H,1-2H2,(H2,7,10)(H2,8,11);1H.
What are the key properties of bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride?
bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5-triene;pyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 175361246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).