9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C14H8N2O3 — CID 11844342

IUPAC9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C14H8N2O3/c17-6-1-3-9-8(5-6)11-10(15-9)4-2-7-12(11)14(19)16-13(7)18/h1-5,15,17H,(H,16,18,19)
InChIKeyIJHAYZZOYYQESB-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.91
Rot. Bonds

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

9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11844342) has the molecular formula C14H8N2O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11844342
Molecular FormulaC14H8N2O3
Molecular Weight252.23 g/mol
Exact Mass252.05
IUPAC Name9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C14H8N2O3/c17-6-1-3-9-8(5-6)11-10(15-9)4-2-7-12(11)14(19)16-13(7)18/h1-5,15,17H,(H,16,18,19)
InChIKeyIJHAYZZOYYQESB-UHFFFAOYSA-N
XLogP1.91
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11844342) is 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is IJHAYZZOYYQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3/c17-6-1-3-9-8(5-6)11-10(15-9)4-2-7-12(11)14(19)16-13(7)18/h1-5,15,17H,(H,16,18,19).
What are the key properties of 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 252.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11844342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).