methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate

C13H11NO3 — CID 15205756

IUPACmethyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate
SMILESCOC(=O)C1=C2c3ccccc3C(=O)N2CC1
InChIInChI=1S/C13H11NO3/c1-17-13(16)10-6-7-14-11(10)8-4-2-3-5-9(8)12(14)15/h2-5H,6-7H2,1H3
InChIKeyOHLNMWVHIBWTTL-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.43
Rot. Bonds1

About methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate

methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate (PubChem CID 15205756) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate
PubChem CID15205756
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namemethyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate
SMILESCOC(=O)C1=C2c3ccccc3C(=O)N2CC1
InChIInChI=1S/C13H11NO3/c1-17-13(16)10-6-7-14-11(10)8-4-2-3-5-9(8)12(14)15/h2-5H,6-7H2,1H3
InChIKeyOHLNMWVHIBWTTL-UHFFFAOYSA-N
XLogP1.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-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 methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate?
The IUPAC name of methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate (CID 15205756) is methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate.
What is the SMILES notation for methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate?
The canonical SMILES for methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate is COC(=O)C1=C2c3ccccc3C(=O)N2CC1.
What is the InChIKey of methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate?
The InChIKey is OHLNMWVHIBWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)10-6-7-14-11(10)8-4-2-3-5-9(8)12(14)15/h2-5H,6-7H2,1H3.
What are the key properties of methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate?
methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2,3-dihydropyrrolo[2,1-a]isoindole-1-carboxylate is sourced from PubChem (CID 15205756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).