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

C19H14N2O2 — CID 5327665

IUPAC3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H14N2O2/c1-21-11-14(13-9-5-6-10-15(13)21)17-16(18(22)20-19(17)23)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22,23)
InChIKeyAXRADSPPGKCCQJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.75
Rot. Bonds2

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

3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 5327665) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione
PubChem CID5327665
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H14N2O2/c1-21-11-14(13-9-5-6-10-15(13)21)17-16(18(22)20-19(17)23)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22,23)
InChIKeyAXRADSPPGKCCQJ-UHFFFAOYSA-N
XLogP2.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indoramin
CID 33625
Enzastaurin
CID 176167
Tivantinib
CID 11494412
Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
SB 216763
CID 176158
Indole-5-carboxamide
CID 14973220
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
Indoramin hydrochloride
CID 38102

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione (CID 5327665) is 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione is Cn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is AXRADSPPGKCCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-21-11-14(13-9-5-6-10-15(13)21)17-16(18(22)20-19(17)23)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22,23).
What are the key properties of 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 302.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 5327665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).