1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione

C19H16Cl2N2O3 — CID 2852238

IUPAC1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H16Cl2N2O3/c20-11-1-3-16-14(7-11)15-8-12(21)2-4-17(15)22(16)9-13(24)10-23-18(25)5-6-19(23)26/h1-4,7-8,13,24H,5-6,9-10H2
InChIKeyFOKLZWOYUGPGAL-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.61
Rot. Bonds4

About 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione

1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione (PubChem CID 2852238) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione
PubChem CID2852238
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H16Cl2N2O3/c20-11-1-3-16-14(7-11)15-8-12(21)2-4-17(15)22(16)9-13(24)10-23-18(25)5-6-19(23)26/h1-4,7-8,13,24H,5-6,9-10H2
InChIKeyFOKLZWOYUGPGAL-UHFFFAOYSA-N
XLogP3.61
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
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 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione (CID 2852238) is 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione?
The InChIKey is FOKLZWOYUGPGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c20-11-1-3-16-14(7-11)15-8-12(21)2-4-17(15)22(16)9-13(24)10-23-18(25)5-6-19(23)26/h1-4,7-8,13,24H,5-6,9-10H2.
What are the key properties of 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione?
1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione has a molecular weight of 391.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2852238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).