3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C19H15N3O2 — CID 46880949

IUPAC3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-11-14(13-9-5-6-10-15(13)22)16-17(19(24)21-18(16)23)20-12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,23,24)
InChIKeyJJNQVVXLJXQVLY-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.66
Rot. Bonds3

About 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 46880949) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID46880949
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-11-14(13-9-5-6-10-15(13)22)16-17(19(24)21-18(16)23)20-12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,23,24)
InChIKeyJJNQVVXLJXQVLY-UHFFFAOYSA-N
XLogP2.66
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 46880949) is 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is JJNQVVXLJXQVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-11-14(13-9-5-6-10-15(13)22)16-17(19(24)21-18(16)23)20-12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,23,24).
What are the key properties of 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 317.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 46880949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).