8-chloro-2,3,4,9-tetrahydro-1H-carbazole

C12H12ClN — CID 14415821

IUPAC8-chloro-2,3,4,9-tetrahydro-1H-carbazole
SMILESClc1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C12H12ClN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6,14H,1-2,4,7H2
InChIKeyXHUILMSPQYMDEP-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.70
Rot. Bonds

About 8-chloro-2,3,4,9-tetrahydro-1H-carbazole

8-chloro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 14415821) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 8-chloro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name8-chloro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID14415821
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name8-chloro-2,3,4,9-tetrahydro-1H-carbazole
SMILESClc1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C12H12ClN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6,14H,1-2,4,7H2
InChIKeyXHUILMSPQYMDEP-UHFFFAOYSA-N
XLogP3.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 8-chloro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 8-chloro-2,3,4,9-tetrahydro-1H-carbazole (CID 14415821) is 8-chloro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 8-chloro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 8-chloro-2,3,4,9-tetrahydro-1H-carbazole is Clc1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of 8-chloro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is XHUILMSPQYMDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6,14H,1-2,4,7H2.
What are the key properties of 8-chloro-2,3,4,9-tetrahydro-1H-carbazole?
8-chloro-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 205.69 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 14415821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).