2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde

C12H12N2O4 — CID 142880139

IUPAC2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde
SMILESC=O.Cc1cc2c(cc1C(N)=O)C(=O)N(C)C2=O
InChIInChI=1S/C11H10N2O3.CH2O/c1-5-3-7-8(4-6(5)9(12)14)11(16)13(2)10(7)15;1-2/h3-4H,1-2H3,(H2,12,14);1H2
InChIKeyRFOJRAYOKLQSOE-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.13
Rot. Bonds1

About 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde

2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde (PubChem CID 142880139) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde.

Molecular Properties

Compound Name2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde
PubChem CID142880139
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde
SMILESC=O.Cc1cc2c(cc1C(N)=O)C(=O)N(C)C2=O
InChIInChI=1S/C11H10N2O3.CH2O/c1-5-3-7-8(4-6(5)9(12)14)11(16)13(2)10(7)15;1-2/h3-4H,1-2H3,(H2,12,14);1H2
InChIKeyRFOJRAYOKLQSOE-UHFFFAOYSA-N
XLogP0.13
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde?
The IUPAC name of 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde (CID 142880139) is 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde.
What is the SMILES notation for 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde?
The canonical SMILES for 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde is C=O.Cc1cc2c(cc1C(N)=O)C(=O)N(C)C2=O.
What is the InChIKey of 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde?
The InChIKey is RFOJRAYOKLQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3.CH2O/c1-5-3-7-8(4-6(5)9(12)14)11(16)13(2)10(7)15;1-2/h3-4H,1-2H3,(H2,12,14);1H2.
What are the key properties of 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde?
2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde has a molecular weight of 248.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3-dioxoisoindole-5-carboxamide;formaldehyde is sourced from PubChem (CID 142880139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).