2,3,4,5-tetrahydro-1H-carbazole

C12H13N — CID 22592025

IUPAC2,3,4,5-tetrahydro-1H-carbazole
SMILESC1=CCC2=C3CCCCC3=NC2=C1
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,7H,2,4-6,8H2
InChIKeyYNSSEKYSKAIVEY-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.16
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-carbazole

2,3,4,5-tetrahydro-1H-carbazole (PubChem CID 22592025) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-carbazole
PubChem CID22592025
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2,3,4,5-tetrahydro-1H-carbazole
SMILESC1=CCC2=C3CCCCC3=NC2=C1
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,7H,2,4-6,8H2
InChIKeyYNSSEKYSKAIVEY-UHFFFAOYSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-carbazole?
The IUPAC name of 2,3,4,5-tetrahydro-1H-carbazole (CID 22592025) is 2,3,4,5-tetrahydro-1H-carbazole.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-carbazole?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-carbazole is C1=CCC2=C3CCCCC3=NC2=C1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-carbazole?
The InChIKey is YNSSEKYSKAIVEY-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/h1,3,7H,2,4-6,8H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-carbazole?
2,3,4,5-tetrahydro-1H-carbazole has a molecular weight of 171.24 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-carbazole is sourced from PubChem (CID 22592025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).