1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

C14H13ClN2O3 — CID 69164334

IUPAC1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H13ClN2O3/c15-7-3-4-10-9(6-7)8-2-1-5-14(12(16)18,13(19)20)11(8)17-10/h3-4,6,17H,1-2,5H2,(H2,16,18)(H,19,20)
InChIKeyNJCZFCHONONIFA-UHFFFAOYSA-N
MW292.72 g/mol
LogP1.97
Rot. Bonds2

About 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 69164334) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
PubChem CID69164334
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H13ClN2O3/c15-7-3-4-10-9(6-7)8-2-1-5-14(12(16)18,13(19)20)11(8)17-10/h3-4,6,17H,1-2,5H2,(H2,16,18)(H,19,20)
InChIKeyNJCZFCHONONIFA-UHFFFAOYSA-N
XLogP1.97
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (CID 69164334) is 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is NC(=O)C1(C(=O)O)CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is NJCZFCHONONIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-7-3-4-10-9(6-7)8-2-1-5-14(12(16)18,13(19)20)11(8)17-10/h3-4,6,17H,1-2,5H2,(H2,16,18)(H,19,20).
What are the key properties of 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-6-chloro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 69164334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).