1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione

C22H19N3O4 — CID 174784361

IUPAC1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C=CC1=O.NCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O2.C11H9NO2/c12-7-8-3-1-2-4-9(8)13-10(14)5-6-11(13)15;1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h1-6H,7,12H2;2-7H,1H3
InChIKeySWIRNKVWVBLXBB-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.00
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione

1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 174784361) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID174784361
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C=CC1=O.NCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O2.C11H9NO2/c12-7-8-3-1-2-4-9(8)13-10(14)5-6-11(13)15;1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h1-6H,7,12H2;2-7H,1H3
InChIKeySWIRNKVWVBLXBB-UHFFFAOYSA-N
XLogP2.00
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione (CID 174784361) is 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione is Cc1ccccc1N1C(=O)C=CC1=O.NCc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is SWIRNKVWVBLXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C11H9NO2/c12-7-8-3-1-2-4-9(8)13-10(14)5-6-11(13)15;1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h1-6H,7,12H2;2-7H,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione?
1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 389.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 174784361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).