(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

C13H12ClNO2 — CID 7074071

IUPAC(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/t9-/m1/s1
InChIKeyKBAOXJSNMBNBHM-SECBINFHSA-N
MW249.70 g/mol
LogP3.33
Rot. Bonds1

About (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid (PubChem CID 7074071) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
PubChem CID7074071
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/t9-/m1/s1
InChIKeyKBAOXJSNMBNBHM-SECBINFHSA-N
XLogP3.33
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The IUPAC name of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid (CID 7074071) is (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid.
What is the SMILES notation for (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The canonical SMILES for (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid is O=C(O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The InChIKey is KBAOXJSNMBNBHM-SECBINFHSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid has a molecular weight of 249.70 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid is sourced from PubChem (CID 7074071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).