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

C12H13N — CID 13664

IUPAC2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
InChIKeyXKLNOVWDVMWTOB-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.05
Rot. Bonds

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

2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 13664) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name2,3,4,9-tetrahydro-1H-carbazole
PubChem CID13664
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
InChIKeyXKLNOVWDVMWTOB-UHFFFAOYSA-N
XLogP3.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.05
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 2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 2,3,4,9-tetrahydro-1H-carbazole (CID 13664) is 2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 2,3,4,9-tetrahydro-1H-carbazole is c1ccc2c3c([nH]c2c1)CCCC3.
What is the InChIKey of 2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is XKLNOVWDVMWTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2.
What are the key properties of 2,3,4,9-tetrahydro-1H-carbazole?
2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 171.24 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 13664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).