9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid

C17H15NO3 — CID 59626371

IUPAC9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n([C@@H]3CCOC3)c2c1
InChIInChI=1S/C17H15NO3/c19-17(20)11-5-6-14-13-3-1-2-4-15(13)18(16(14)9-11)12-7-8-21-10-12/h1-6,9,12H,7-8,10H2,(H,19,20)/t12-/m1/s1
InChIKeyFQBKAHZBXFFELN-GFCCVEGCSA-N
MW281.31 g/mol
LogP3.45
Rot. Bonds2

About 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid

9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid (PubChem CID 59626371) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
PubChem CID59626371
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n([C@@H]3CCOC3)c2c1
InChIInChI=1S/C17H15NO3/c19-17(20)11-5-6-14-13-3-1-2-4-15(13)18(16(14)9-11)12-7-8-21-10-12/h1-6,9,12H,7-8,10H2,(H,19,20)/t12-/m1/s1
InChIKeyFQBKAHZBXFFELN-GFCCVEGCSA-N
XLogP3.45
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid?
The IUPAC name of 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid (CID 59626371) is 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid.
What is the SMILES notation for 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid?
The canonical SMILES for 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid is O=C(O)c1ccc2c3ccccc3n([C@@H]3CCOC3)c2c1.
What is the InChIKey of 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid?
The InChIKey is FQBKAHZBXFFELN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(20)11-5-6-14-13-3-1-2-4-15(13)18(16(14)9-11)12-7-8-21-10-12/h1-6,9,12H,7-8,10H2,(H,19,20)/t12-/m1/s1.
What are the key properties of 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid?
9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid is sourced from PubChem (CID 59626371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).