methyl 5H-carbazole-3-carboxylate

C14H11NO2 — CID 154067229

IUPACmethyl 5H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=C1CC=CC=C1N=2
InChIInChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-3,5-8H,4H2,1H3
InChIKeyJCHZOTFEPXGIJO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.10
Rot. Bonds1

About methyl 5H-carbazole-3-carboxylate

methyl 5H-carbazole-3-carboxylate (PubChem CID 154067229) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 5H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5H-carbazole-3-carboxylate
PubChem CID154067229
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Namemethyl 5H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=C1CC=CC=C1N=2
InChIInChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-3,5-8H,4H2,1H3
InChIKeyJCHZOTFEPXGIJO-UHFFFAOYSA-N
XLogP1.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Pyrano[4,3-b]indole-1,3-dione
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Methyl spiro[benzimidazole-2,1'-cyclohexane]-5-carboxylate
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1H-pyrano[4,3-b]indol-3-one
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Methyl 2-oxoindole-5-carboxylate
CID 46739851
Ethyl 7-chlorocyclopenta[b]indole-2-carboxylate
CID 54440432
ethyl 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylate
CID 67785136
Methyl 2-oxobenzimidazole-5-carboxylate
CID 68557267
5H-carbazole-3-carboxylic acid
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Methyl thiopyrano[3,2-b][1]benzazepine-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5H-carbazole-3-carboxylate?
The IUPAC name of methyl 5H-carbazole-3-carboxylate (CID 154067229) is methyl 5H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 5H-carbazole-3-carboxylate?
The canonical SMILES for methyl 5H-carbazole-3-carboxylate is COC(=O)c1ccc2c(c1)=C1CC=CC=C1N=2.
What is the InChIKey of methyl 5H-carbazole-3-carboxylate?
The InChIKey is JCHZOTFEPXGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-3,5-8H,4H2,1H3.
What are the key properties of methyl 5H-carbazole-3-carboxylate?
methyl 5H-carbazole-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5H-carbazole-3-carboxylate is sourced from PubChem (CID 154067229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).