ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate

C17H12N2O4 — CID 24813537

IUPACethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(c3[nH]c4ccccc4c13)C(=O)NC2=O
InChIInChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)14-12(10)8-5-3-4-6-11(8)18-14/h3-7,18H,2H2,1H3,(H,19,20,21)
InChIKeyMIFBYWLRNAAPCE-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.38
Rot. Bonds2

About ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate

ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate (PubChem CID 24813537) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate
PubChem CID24813537
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Nameethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(c3[nH]c4ccccc4c13)C(=O)NC2=O
InChIInChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)14-12(10)8-5-3-4-6-11(8)18-14/h3-7,18H,2H2,1H3,(H,19,20,21)
InChIKeyMIFBYWLRNAAPCE-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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Related Compounds

Methyl Carbazole-3-Carboxylate
CID 504069
ethyl 9H-carbazole-3-carboxylate
CID 1935506
methyl 7-tert-butyl-9H-carbazole-3-carboxylate
CID 46244082
diethyl 2,3,4,9-tetrahydro-1H-carbazole-1,6-dicarboxylate
CID 4314979
7-(Propan-2-yloxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-14-one
CID 10199918
Methyl 9H-carbazole-2-carboxylate
CID 11299083
3-(4-Methyl-1,3-dioxo-1,3-dihydro-pyrrolo[3,4-c]quinolin-2-yl)-benzoic acid 2-(2,5-dimethyl-phenyl)-2-oxo-ethyl ester
CID 1427725
Methyl 5-[(E)-1,2-diphenylethenyl]-9H-carbazole-3-carboxylate
CID 11618315
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate
CID 16283842
6H-2-N-hydroxymethyl-5-ethoxycarbonyl-pyrrolo-[3,4-c]carbazole-1,3-dione
CID 24813540
Methyl 8-oxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-15-carboxylate
CID 44408243
3-(4-Methyl-1,3-dioxo-1,3-dihydro-pyrrolo[3,4-c]quinolin-2-yl)-benzoic acid 2-(3,4-dimethyl-phenyl)-2-oxo-ethyl ester
CID 1414396

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate?
The IUPAC name of ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate (CID 24813537) is ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate?
The canonical SMILES for ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate is CCOC(=O)c1cc2c(c3[nH]c4ccccc4c13)C(=O)NC2=O.
What is the InChIKey of ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate?
The InChIKey is MIFBYWLRNAAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-2-23-17(22)10-7-9-13(16(21)19-15(9)20)14-12(10)8-5-3-4-6-11(8)18-14/h3-7,18H,2H2,1H3,(H,19,20,21).
What are the key properties of ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]carbazole-5-carboxylate?
ethyl 1,3-dioxo-10H-pyrrolo[3,4-a]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-10H-pyrrolo[3,4-a]carbazole-5-carboxylate is sourced from PubChem (CID 24813537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).