3-methoxycarbonyl-1H-carbazole-4-carboxylic acid

C15H11NO4 — CID 18366753

IUPAC3-methoxycarbonyl-1H-carbazole-4-carboxylic acid
SMILESCOC(=O)C1=CCC2=Nc3ccccc3C2=C1C(=O)O
InChIInChI=1S/C15H11NO4/c1-20-15(19)9-6-7-11-12(13(9)14(17)18)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H,17,18)
InChIKeyPAZOCTVSESYVKT-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.11
Rot. Bonds2

About 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid

3-methoxycarbonyl-1H-carbazole-4-carboxylic acid (PubChem CID 18366753) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-1H-carbazole-4-carboxylic acid
PubChem CID18366753
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-methoxycarbonyl-1H-carbazole-4-carboxylic acid
SMILESCOC(=O)C1=CCC2=Nc3ccccc3C2=C1C(=O)O
InChIInChI=1S/C15H11NO4/c1-20-15(19)9-6-7-11-12(13(9)14(17)18)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H,17,18)
InChIKeyPAZOCTVSESYVKT-UHFFFAOYSA-N
XLogP2.11
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid (CID 18366753) is 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid is COC(=O)C1=CCC2=Nc3ccccc3C2=C1C(=O)O.
What is the InChIKey of 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid?
The InChIKey is PAZOCTVSESYVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-20-15(19)9-6-7-11-12(13(9)14(17)18)8-4-2-3-5-10(8)16-11/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid?
3-methoxycarbonyl-1H-carbazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-1H-carbazole-4-carboxylic acid is sourced from PubChem (CID 18366753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).