methyl 6-methoxy-9H-carbazole-3-carboxylate

C15H13NO3 — CID 14804151

IUPACmethyl 6-methoxy-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3ccc(OC)cc3c2c1
InChIInChI=1S/C15H13NO3/c1-18-10-4-6-14-12(8-10)11-7-9(15(17)19-2)3-5-13(11)16-14/h3-8,16H,1-2H3
InChIKeyANFDUFMLLFNVTE-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.12
Rot. Bonds2

About methyl 6-methoxy-9H-carbazole-3-carboxylate

methyl 6-methoxy-9H-carbazole-3-carboxylate (PubChem CID 14804151) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 6-methoxy-9H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-9H-carbazole-3-carboxylate
PubChem CID14804151
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 6-methoxy-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3ccc(OC)cc3c2c1
InChIInChI=1S/C15H13NO3/c1-18-10-4-6-14-12(8-10)11-7-9(15(17)19-2)3-5-13(11)16-14/h3-8,16H,1-2H3
InChIKeyANFDUFMLLFNVTE-UHFFFAOYSA-N
XLogP3.12
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-9H-carbazole-3-carboxylate?
The IUPAC name of methyl 6-methoxy-9H-carbazole-3-carboxylate (CID 14804151) is methyl 6-methoxy-9H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-9H-carbazole-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-9H-carbazole-3-carboxylate is COC(=O)c1ccc2[nH]c3ccc(OC)cc3c2c1.
What is the InChIKey of methyl 6-methoxy-9H-carbazole-3-carboxylate?
The InChIKey is ANFDUFMLLFNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-10-4-6-14-12(8-10)11-7-9(15(17)19-2)3-5-13(11)16-14/h3-8,16H,1-2H3.
What are the key properties of methyl 6-methoxy-9H-carbazole-3-carboxylate?
methyl 6-methoxy-9H-carbazole-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-9H-carbazole-3-carboxylate is sourced from PubChem (CID 14804151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).