methyl 1-hydroxy-9H-carbazole-3-carboxylate

C14H11NO3 — CID 5315951

IUPACmethyl 1-hydroxy-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1cc(O)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C14H11NO3/c1-18-14(17)8-6-10-9-4-2-3-5-11(9)15-13(10)12(16)7-8/h2-7,15-16H,1H3
InChIKeyZWPODTIRGFOENJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.81
Rot. Bonds1

About methyl 1-hydroxy-9H-carbazole-3-carboxylate

methyl 1-hydroxy-9H-carbazole-3-carboxylate (PubChem CID 5315951) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 1-hydroxy-9H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-9H-carbazole-3-carboxylate
PubChem CID5315951
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namemethyl 1-hydroxy-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1cc(O)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C14H11NO3/c1-18-14(17)8-6-10-9-4-2-3-5-11(9)15-13(10)12(16)7-8/h2-7,15-16H,1H3
InChIKeyZWPODTIRGFOENJ-UHFFFAOYSA-N
XLogP2.81
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-9H-carbazole-3-carboxylate?
The IUPAC name of methyl 1-hydroxy-9H-carbazole-3-carboxylate (CID 5315951) is methyl 1-hydroxy-9H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-9H-carbazole-3-carboxylate?
The canonical SMILES for methyl 1-hydroxy-9H-carbazole-3-carboxylate is COC(=O)c1cc(O)c2[nH]c3ccccc3c2c1.
What is the InChIKey of methyl 1-hydroxy-9H-carbazole-3-carboxylate?
The InChIKey is ZWPODTIRGFOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-18-14(17)8-6-10-9-4-2-3-5-11(9)15-13(10)12(16)7-8/h2-7,15-16H,1H3.
What are the key properties of methyl 1-hydroxy-9H-carbazole-3-carboxylate?
methyl 1-hydroxy-9H-carbazole-3-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-9H-carbazole-3-carboxylate is sourced from PubChem (CID 5315951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).