4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C20H13N3O3 — CID 10337485

IUPAC4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESNc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C20H13N3O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,21H2,(H,23,25,26)
InChIKeyDWYHYIJHKSHAFP-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.16
Rot. Bonds1

About 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10337485) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10337485
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESNc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C20H13N3O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,21H2,(H,23,25,26)
InChIKeyDWYHYIJHKSHAFP-UHFFFAOYSA-N
XLogP3.16
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 10337485) is 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is Nc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O.
What is the InChIKey of 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is DWYHYIJHKSHAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,21H2,(H,23,25,26).
What are the key properties of 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 343.34 g/mol, XLogP of 3.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10337485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).