2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate

C15H12N2O4 — CID 8543795

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc[nH]1
InChIInChI=1S/C15H12N2O4/c18-13-10-4-1-2-5-11(10)14(19)17(13)8-9-21-15(20)12-6-3-7-16-12/h1-7,16H,8-9H2
InChIKeyRLQPJTAZTGXPSW-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.47
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate (PubChem CID 8543795) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate
PubChem CID8543795
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc[nH]1
InChIInChI=1S/C15H12N2O4/c18-13-10-4-1-2-5-11(10)14(19)17(13)8-9-21-15(20)12-6-3-7-16-12/h1-7,16H,8-9H2
InChIKeyRLQPJTAZTGXPSW-UHFFFAOYSA-N
XLogP1.47
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate 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

2-(1,3-dioxoisoindol-2-yl)ethyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385390
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
2-(1,3-dioxoisoindol-2-yl)ethyl 3,5-difluorobenzoate
CID 4545184
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2598527
2-(1,3-dioxoisoindol-2-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate
CID 7503539
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
CID 5145140
2-(1,3-dioxoisoindol-2-yl)ethyl 3-chlorobenzoate
CID 2504001
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-(1,3-dioxoisoindol-2-yl)ethyl 3-nitrobenzoate
CID 2568002
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(difluoromethoxy)benzoate
CID 2629528
2-(1,3-dioxoisoindol-2-yl)ethyl 2,4-dimethylbenzoate
CID 2544102

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate (CID 8543795) is 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate is O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc[nH]1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate?
The InChIKey is RLQPJTAZTGXPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-13-10-4-1-2-5-11(10)14(19)17(13)8-9-21-15(20)12-6-3-7-16-12/h1-7,16H,8-9H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8543795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).