(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

C14H15NO2 — CID 129405918

IUPAC(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
SMILESCn1c2c(c3ccccc31)[C@H](C(=O)O)CCC2
InChIInChI=1S/C14H15NO2/c1-15-11-7-3-2-5-9(11)13-10(14(16)17)6-4-8-12(13)15/h2-3,5,7,10H,4,6,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyQLACCRJNXWNNBC-SNVBAGLBSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds1

About (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (PubChem CID 129405918) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
PubChem CID129405918
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
SMILESCn1c2c(c3ccccc31)[C@H](C(=O)O)CCC2
InChIInChI=1S/C14H15NO2/c1-15-11-7-3-2-5-9(11)13-10(14(16)17)6-4-8-12(13)15/h2-3,5,7,10H,4,6,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyQLACCRJNXWNNBC-SNVBAGLBSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid?
The IUPAC name of (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid (CID 129405918) is (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid.
What is the SMILES notation for (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid?
The canonical SMILES for (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid is Cn1c2c(c3ccccc31)[C@H](C(=O)O)CCC2.
What is the InChIKey of (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid?
The InChIKey is QLACCRJNXWNNBC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-11-7-3-2-5-9(11)13-10(14(16)17)6-4-8-12(13)15/h2-3,5,7,10H,4,6,8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid?
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid is sourced from PubChem (CID 129405918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).