methyl 1-hydroxy-9-methylcarbazole-3-carboxylate

C15H13NO3 — CID 21192144

IUPACmethyl 1-hydroxy-9-methylcarbazole-3-carboxylate
SMILESCOC(=O)c1cc(O)c2c(c1)c1ccccc1n2C
InChIInChI=1S/C15H13NO3/c1-16-12-6-4-3-5-10(12)11-7-9(15(18)19-2)8-13(17)14(11)16/h3-8,17H,1-2H3
InChIKeyWWJZFGANNZIJGF-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.82
Rot. Bonds1

About methyl 1-hydroxy-9-methylcarbazole-3-carboxylate

methyl 1-hydroxy-9-methylcarbazole-3-carboxylate (PubChem CID 21192144) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 1-hydroxy-9-methylcarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-9-methylcarbazole-3-carboxylate
PubChem CID21192144
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 1-hydroxy-9-methylcarbazole-3-carboxylate
SMILESCOC(=O)c1cc(O)c2c(c1)c1ccccc1n2C
InChIInChI=1S/C15H13NO3/c1-16-12-6-4-3-5-10(12)11-7-9(15(18)19-2)8-13(17)14(11)16/h3-8,17H,1-2H3
InChIKeyWWJZFGANNZIJGF-UHFFFAOYSA-N
XLogP2.82
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-9-methylcarbazole-3-carboxylate?
The IUPAC name of methyl 1-hydroxy-9-methylcarbazole-3-carboxylate (CID 21192144) is methyl 1-hydroxy-9-methylcarbazole-3-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-9-methylcarbazole-3-carboxylate?
The canonical SMILES for methyl 1-hydroxy-9-methylcarbazole-3-carboxylate is COC(=O)c1cc(O)c2c(c1)c1ccccc1n2C.
What is the InChIKey of methyl 1-hydroxy-9-methylcarbazole-3-carboxylate?
The InChIKey is WWJZFGANNZIJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-12-6-4-3-5-10(12)11-7-9(15(18)19-2)8-13(17)14(11)16/h3-8,17H,1-2H3.
What are the key properties of methyl 1-hydroxy-9-methylcarbazole-3-carboxylate?
methyl 1-hydroxy-9-methylcarbazole-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-9-methylcarbazole-3-carboxylate is sourced from PubChem (CID 21192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).