5,6,7,9-tetrahydro-4bH-carbazol-3-ol

C12H13NO — CID 67863746

IUPAC5,6,7,9-tetrahydro-4bH-carbazol-3-ol
SMILESOc1ccc2c(c1)C1CCCC=C1N2
InChIInChI=1S/C12H13NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h4-7,9,13-14H,1-3H2
InChIKeyKOGMYYDAEYUDEV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.97
Rot. Bonds

About 5,6,7,9-tetrahydro-4bH-carbazol-3-ol

5,6,7,9-tetrahydro-4bH-carbazol-3-ol (PubChem CID 67863746) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5,6,7,9-tetrahydro-4bH-carbazol-3-ol.

Molecular Properties

Compound Name5,6,7,9-tetrahydro-4bH-carbazol-3-ol
PubChem CID67863746
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5,6,7,9-tetrahydro-4bH-carbazol-3-ol
SMILESOc1ccc2c(c1)C1CCCC=C1N2
InChIInChI=1S/C12H13NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h4-7,9,13-14H,1-3H2
InChIKeyKOGMYYDAEYUDEV-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,9-tetrahydro-4bH-carbazol-3-ol?
The IUPAC name of 5,6,7,9-tetrahydro-4bH-carbazol-3-ol (CID 67863746) is 5,6,7,9-tetrahydro-4bH-carbazol-3-ol.
What is the SMILES notation for 5,6,7,9-tetrahydro-4bH-carbazol-3-ol?
The canonical SMILES for 5,6,7,9-tetrahydro-4bH-carbazol-3-ol is Oc1ccc2c(c1)C1CCCC=C1N2.
What is the InChIKey of 5,6,7,9-tetrahydro-4bH-carbazol-3-ol?
The InChIKey is KOGMYYDAEYUDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h4-7,9,13-14H,1-3H2.
What are the key properties of 5,6,7,9-tetrahydro-4bH-carbazol-3-ol?
5,6,7,9-tetrahydro-4bH-carbazol-3-ol has a molecular weight of 187.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,9-tetrahydro-4bH-carbazol-3-ol is sourced from PubChem (CID 67863746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).