ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate

C17H13ClN2O2 — CID 11209178

IUPACethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc3c([nH]c4cccc(Cl)c43)c2[nH]1
InChIInChI=1S/C17H13ClN2O2/c1-2-22-17(21)13-8-9-6-7-10-14-11(18)4-3-5-12(14)19-16(10)15(9)20-13/h3-8,19-20H,2H2,1H3
InChIKeyGDYQXHLSCFUWMJ-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.63
Rot. Bonds2

About ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate

ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate (PubChem CID 11209178) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
PubChem CID11209178
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Nameethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc3c([nH]c4cccc(Cl)c43)c2[nH]1
InChIInChI=1S/C17H13ClN2O2/c1-2-22-17(21)13-8-9-6-7-10-14-11(18)4-3-5-12(14)19-16(10)15(9)20-13/h3-8,19-20H,2H2,1H3
InChIKeyGDYQXHLSCFUWMJ-UHFFFAOYSA-N
XLogP4.63
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate (CID 11209178) is ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate is CCOC(=O)c1cc2ccc3c([nH]c4cccc(Cl)c43)c2[nH]1.
What is the InChIKey of ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate?
The InChIKey is GDYQXHLSCFUWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-2-22-17(21)13-8-9-6-7-10-14-11(18)4-3-5-12(14)19-16(10)15(9)20-13/h3-8,19-20H,2H2,1H3.
What are the key properties of ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate?
ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate has a molecular weight of 312.76 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate is sourced from PubChem (CID 11209178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).