5-amino-2-naphthalen-1-ylisoindole-1,3-dione

C18H12N2O2 — CID 625653

IUPAC5-amino-2-naphthalen-1-ylisoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
InChIInChI=1S/C18H12N2O2/c19-12-8-9-14-15(10-12)18(22)20(17(14)21)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,19H2
InChIKeyROMCKSAUZWMNMO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.22
Rot. Bonds1

About 5-amino-2-naphthalen-1-ylisoindole-1,3-dione

5-amino-2-naphthalen-1-ylisoindole-1,3-dione (PubChem CID 625653) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-amino-2-naphthalen-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-naphthalen-1-ylisoindole-1,3-dione
PubChem CID625653
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name5-amino-2-naphthalen-1-ylisoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
InChIInChI=1S/C18H12N2O2/c19-12-8-9-14-15(10-12)18(22)20(17(14)21)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,19H2
InChIKeyROMCKSAUZWMNMO-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-naphthalen-1-ylisoindole-1,3-dione?
The IUPAC name of 5-amino-2-naphthalen-1-ylisoindole-1,3-dione (CID 625653) is 5-amino-2-naphthalen-1-ylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-naphthalen-1-ylisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-naphthalen-1-ylisoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O.
What is the InChIKey of 5-amino-2-naphthalen-1-ylisoindole-1,3-dione?
The InChIKey is ROMCKSAUZWMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-12-8-9-14-15(10-12)18(22)20(17(14)21)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,19H2.
What are the key properties of 5-amino-2-naphthalen-1-ylisoindole-1,3-dione?
5-amino-2-naphthalen-1-ylisoindole-1,3-dione has a molecular weight of 288.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-naphthalen-1-ylisoindole-1,3-dione is sourced from PubChem (CID 625653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).