4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione

C17H11ClN2O2 — CID 11688173

IUPAC4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione
SMILESCn1ccc2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChIInChI=1S/C17H11ClN2O2/c1-20-7-6-10-13(20)8-11(9-4-2-3-5-12(9)18)15-14(10)16(21)19-17(15)22/h2-8H,1H3,(H,19,21,22)
InChIKeyUFUKZEIHAYUPSG-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.38
Rot. Bonds1

About 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione

4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione (PubChem CID 11688173) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione
PubChem CID11688173
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione
SMILESCn1ccc2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChIInChI=1S/C17H11ClN2O2/c1-20-7-6-10-13(20)8-11(9-4-2-3-5-12(9)18)15-14(10)16(21)19-17(15)22/h2-8H,1H3,(H,19,21,22)
InChIKeyUFUKZEIHAYUPSG-UHFFFAOYSA-N
XLogP3.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione?
The IUPAC name of 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione (CID 11688173) is 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione?
The canonical SMILES for 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione is Cn1ccc2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O.
What is the InChIKey of 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione?
The InChIKey is UFUKZEIHAYUPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c1-20-7-6-10-13(20)8-11(9-4-2-3-5-12(9)18)15-14(10)16(21)19-17(15)22/h2-8H,1H3,(H,19,21,22).
What are the key properties of 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione?
4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione has a molecular weight of 310.74 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione is sourced from PubChem (CID 11688173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).