5-(aminomethyl)-2-methylisoindole-1,3-dione

C10H10N2O2 — CID 82404123

IUPAC5-(aminomethyl)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(CN)cc2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-9(13)7-3-2-6(5-11)4-8(7)10(12)14/h2-4H,5,11H2,1H3
InChIKeyJPFDPLLUJYANED-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.37
Rot. Bonds1

About 5-(aminomethyl)-2-methylisoindole-1,3-dione

5-(aminomethyl)-2-methylisoindole-1,3-dione (PubChem CID 82404123) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(aminomethyl)-2-methylisoindole-1,3-dione
PubChem CID82404123
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-(aminomethyl)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(CN)cc2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-9(13)7-3-2-6(5-11)4-8(7)10(12)14/h2-4H,5,11H2,1H3
InChIKeyJPFDPLLUJYANED-UHFFFAOYSA-N
XLogP0.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.37
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 5-(aminomethyl)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(aminomethyl)-2-methylisoindole-1,3-dione (CID 82404123) is 5-(aminomethyl)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(aminomethyl)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(aminomethyl)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(CN)cc2C1=O.
What is the InChIKey of 5-(aminomethyl)-2-methylisoindole-1,3-dione?
The InChIKey is JPFDPLLUJYANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-9(13)7-3-2-6(5-11)4-8(7)10(12)14/h2-4H,5,11H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methylisoindole-1,3-dione?
5-(aminomethyl)-2-methylisoindole-1,3-dione has a molecular weight of 190.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 82404123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).