5-methylbenzo[e]isoindole-1,3-dione

C13H9NO2 — CID 132606674

IUPAC5-methylbenzo[e]isoindole-1,3-dione
SMILESCc1cc2c(c3ccccc13)C(=O)NC2=O
InChIInChI=1S/C13H9NO2/c1-7-6-10-11(13(16)14-12(10)15)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,14,15,16)
InChIKeyXELJLEHTFCQPBH-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.03
Rot. Bonds

About 5-methylbenzo[e]isoindole-1,3-dione

5-methylbenzo[e]isoindole-1,3-dione (PubChem CID 132606674) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-methylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methylbenzo[e]isoindole-1,3-dione
PubChem CID132606674
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name5-methylbenzo[e]isoindole-1,3-dione
SMILESCc1cc2c(c3ccccc13)C(=O)NC2=O
InChIInChI=1S/C13H9NO2/c1-7-6-10-11(13(16)14-12(10)15)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,14,15,16)
InChIKeyXELJLEHTFCQPBH-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphtho[2,1-e]isoindole-1,3-dione
CID 87830454
4-methoxybenzo[f]isoindole-1,3-dione
CID 11775900
4-amino-5-methylbenzo[e]isoindole-1,3-dione
CID 54165861
4,9-bis(2-hydroxyphenyl)benzo[f]isoindole-1,3-dione
CID 11291966
5-(4-chloro-2,6-dimethylphenoxy)isoindole-1,3-dione
CID 141275224
bromomethane;isoindole-1,3-dione
CID 158684384
6-methoxy-4-methylisoindole-1,3-dione
CID 66672340
lithium isoindole-1,3-dione
CID 18764300
isoindole-1,3-dione;phosphane
CID 89428738
hydron;isoindole-1,3-dione
CID 174301362
CID 158403573
CID 158403573
9,12,12,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),5,9,14,16,18,20-nonaene-4,7-dione
CID 118066168

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzo[e]isoindole-1,3-dione?
The IUPAC name of 5-methylbenzo[e]isoindole-1,3-dione (CID 132606674) is 5-methylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 5-methylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for 5-methylbenzo[e]isoindole-1,3-dione is Cc1cc2c(c3ccccc13)C(=O)NC2=O.
What is the InChIKey of 5-methylbenzo[e]isoindole-1,3-dione?
The InChIKey is XELJLEHTFCQPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-7-6-10-11(13(16)14-12(10)15)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-methylbenzo[e]isoindole-1,3-dione?
5-methylbenzo[e]isoindole-1,3-dione has a molecular weight of 211.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 132606674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).