(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione

C23H16N2O4 — CID 8991325

IUPAC(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C(=O)CN2C(=O)c3cccc4cccc2c34)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H16N2O4/c26-19(25-12-17(21(27)23(25)29)14-6-2-1-3-7-14)13-24-18-11-5-9-15-8-4-10-16(20(15)18)22(24)28/h1-11,17H,12-13H2/t17-/m1/s1
InChIKeyQVDULGHRNQMJRL-QGZVFWFLSA-N
MW384.39 g/mol
LogP2.52
Rot. Bonds3

About (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione

(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione (PubChem CID 8991325) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
PubChem CID8991325
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C(=O)CN2C(=O)c3cccc4cccc2c34)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H16N2O4/c26-19(25-12-17(21(27)23(25)29)14-6-2-1-3-7-14)13-24-18-11-5-9-15-8-4-10-16(20(15)18)22(24)28/h1-11,17H,12-13H2/t17-/m1/s1
InChIKeyQVDULGHRNQMJRL-QGZVFWFLSA-N
XLogP2.52
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 848359
1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
CID 894146
1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 4219905
(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
CID 8991301
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
CID 4737279
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione (CID 8991325) is (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione is O=C1C(=O)N(C(=O)CN2C(=O)c3cccc4cccc2c34)C[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione?
The InChIKey is QVDULGHRNQMJRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-19(25-12-17(21(27)23(25)29)14-6-2-1-3-7-14)13-24-18-11-5-9-15-8-4-10-16(20(15)18)22(24)28/h1-11,17H,12-13H2/t17-/m1/s1.
What are the key properties of (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione?
(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione has a molecular weight of 384.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 8991325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).