pyrrolo[3,2-a]carbazole-1,2-dione

C14H6N2O2 — CID 158316028

IUPACpyrrolo[3,2-a]carbazole-1,2-dione
SMILESO=c1nc2ccc3c4ccccc4nc3c2c1=O
InChIInChI=1S/C14H6N2O2/c17-13-11-10(16-14(13)18)6-5-8-7-3-1-2-4-9(7)15-12(8)11/h1-6H
InChIKeyGOGROEBAOFJELP-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.53
Rot. Bonds

About pyrrolo[3,2-a]carbazole-1,2-dione

pyrrolo[3,2-a]carbazole-1,2-dione (PubChem CID 158316028) has the molecular formula C14H6N2O2 and a molecular weight of 234.21 g/mol. Its IUPAC name is pyrrolo[3,2-a]carbazole-1,2-dione.

Molecular Properties

Compound Namepyrrolo[3,2-a]carbazole-1,2-dione
PubChem CID158316028
Molecular FormulaC14H6N2O2
Molecular Weight234.21 g/mol
Exact Mass234.04
IUPAC Namepyrrolo[3,2-a]carbazole-1,2-dione
SMILESO=c1nc2ccc3c4ccccc4nc3c2c1=O
InChIInChI=1S/C14H6N2O2/c17-13-11-10(16-14(13)18)6-5-8-7-3-1-2-4-9(7)15-12(8)11/h1-6H
InChIKeyGOGROEBAOFJELP-UHFFFAOYSA-N
XLogP1.53
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-a]carbazole-1,2-dione?
The IUPAC name of pyrrolo[3,2-a]carbazole-1,2-dione (CID 158316028) is pyrrolo[3,2-a]carbazole-1,2-dione.
What is the SMILES notation for pyrrolo[3,2-a]carbazole-1,2-dione?
The canonical SMILES for pyrrolo[3,2-a]carbazole-1,2-dione is O=c1nc2ccc3c4ccccc4nc3c2c1=O.
What is the InChIKey of pyrrolo[3,2-a]carbazole-1,2-dione?
The InChIKey is GOGROEBAOFJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2O2/c17-13-11-10(16-14(13)18)6-5-8-7-3-1-2-4-9(7)15-12(8)11/h1-6H.
What are the key properties of pyrrolo[3,2-a]carbazole-1,2-dione?
pyrrolo[3,2-a]carbazole-1,2-dione has a molecular weight of 234.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-a]carbazole-1,2-dione is sourced from PubChem (CID 158316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).