2-ethyl-1,3-dioxoisoindole-5-carbaldehyde

C11H9NO3 — CID 58922228

IUPAC2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
SMILESCCN1C(=O)c2ccc(C=O)cc2C1=O
InChIInChI=1S/C11H9NO3/c1-2-12-10(14)8-4-3-7(6-13)5-9(8)11(12)15/h3-6H,2H2,1H3
InChIKeyMBPNVCXLYOZOKB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.12
Rot. Bonds2

About 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde

2-ethyl-1,3-dioxoisoindole-5-carbaldehyde (PubChem CID 58922228) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
PubChem CID58922228
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
SMILESCCN1C(=O)c2ccc(C=O)cc2C1=O
InChIInChI=1S/C11H9NO3/c1-2-12-10(14)8-4-3-7(6-13)5-9(8)11(12)15/h3-6H,2H2,1H3
InChIKeyMBPNVCXLYOZOKB-UHFFFAOYSA-N
XLogP1.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde?
The IUPAC name of 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde (CID 58922228) is 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde is CCN1C(=O)c2ccc(C=O)cc2C1=O.
What is the InChIKey of 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde?
The InChIKey is MBPNVCXLYOZOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-12-10(14)8-4-3-7(6-13)5-9(8)11(12)15/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde?
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxoisoindole-5-carbaldehyde is sourced from PubChem (CID 58922228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).