5,6,9,9a-tetrahydro-1H-carbazole

C12H13N — CID 88903924

IUPAC5,6,9,9a-tetrahydro-1H-carbazole
SMILESC1=CCC2NC3=C(CCC=C3)C2=C1
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3-5,8,11,13H,2,6-7H2
InChIKeyVQYCQBPAZXSMDT-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.45
Rot. Bonds

About 5,6,9,9a-tetrahydro-1H-carbazole

5,6,9,9a-tetrahydro-1H-carbazole (PubChem CID 88903924) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 5,6,9,9a-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5,6,9,9a-tetrahydro-1H-carbazole
PubChem CID88903924
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name5,6,9,9a-tetrahydro-1H-carbazole
SMILESC1=CCC2NC3=C(CCC=C3)C2=C1
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3-5,8,11,13H,2,6-7H2
InChIKeyVQYCQBPAZXSMDT-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,9,9a-tetrahydro-1H-carbazole?
The IUPAC name of 5,6,9,9a-tetrahydro-1H-carbazole (CID 88903924) is 5,6,9,9a-tetrahydro-1H-carbazole.
What is the SMILES notation for 5,6,9,9a-tetrahydro-1H-carbazole?
The canonical SMILES for 5,6,9,9a-tetrahydro-1H-carbazole is C1=CCC2NC3=C(CCC=C3)C2=C1.
What is the InChIKey of 5,6,9,9a-tetrahydro-1H-carbazole?
The InChIKey is VQYCQBPAZXSMDT-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/h1,3-5,8,11,13H,2,6-7H2.
What are the key properties of 5,6,9,9a-tetrahydro-1H-carbazole?
5,6,9,9a-tetrahydro-1H-carbazole has a molecular weight of 171.24 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9,9a-tetrahydro-1H-carbazole is sourced from PubChem (CID 88903924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).