3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C22H20N2O4 — CID 46880303

IUPAC3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc(C[C@@H](O)CO)c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H20N2O4/c1-24-11-17(16-7-2-3-8-18(16)24)20-19(21(27)23-22(20)28)14-6-4-5-13(9-14)10-15(26)12-25/h2-9,11,15,25-26H,10,12H2,1H3,(H,23,27,28)/t15-/m1/s1
InChIKeyIVLXFYOVQYKSNO-OAHLLOKOSA-N
MW376.41 g/mol
LogP1.64
Rot. Bonds5

About 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 46880303) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID46880303
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc(C[C@@H](O)CO)c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H20N2O4/c1-24-11-17(16-7-2-3-8-18(16)24)20-19(21(27)23-22(20)28)14-6-4-5-13(9-14)10-15(26)12-25/h2-9,11,15,25-26H,10,12H2,1H3,(H,23,27,28)/t15-/m1/s1
InChIKeyIVLXFYOVQYKSNO-OAHLLOKOSA-N
XLogP1.64
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 46880303) is 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cccc(C[C@@H](O)CO)c3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is IVLXFYOVQYKSNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-24-11-17(16-7-2-3-8-18(16)24)20-19(21(27)23-22(20)28)14-6-4-5-13(9-14)10-15(26)12-25/h2-9,11,15,25-26H,10,12H2,1H3,(H,23,27,28)/t15-/m1/s1.
What are the key properties of 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 376.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2,3-dihydroxypropyl]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 46880303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).