ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate

C17H12N2O4 — CID 24813538

IUPACethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)NC2=O
InChIInChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)12-8-5-3-4-6-11(8)18-14(10)12/h3-7,18H,2H2,1H3,(H,19,20,21)
InChIKeyLRYMJPZVOLYMPA-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.38
Rot. Bonds2

About ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate

ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate (PubChem CID 24813538) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate
PubChem CID24813538
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Nameethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)NC2=O
InChIInChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)12-8-5-3-4-6-11(8)18-14(10)12/h3-7,18H,2H2,1H3,(H,19,20,21)
InChIKeyLRYMJPZVOLYMPA-UHFFFAOYSA-N
XLogP2.38
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The IUPAC name of ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate (CID 24813538) is ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The canonical SMILES for ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate is CCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)NC2=O.
What is the InChIKey of ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The InChIKey is LRYMJPZVOLYMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)12-8-5-3-4-6-11(8)18-14(10)12/h3-7,18H,2H2,1H3,(H,19,20,21).
What are the key properties of ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate is sourced from PubChem (CID 24813538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).