1-cyclobutylindol-6-ol

C12H13NO — CID 141298764

IUPAC1-cyclobutylindol-6-ol
SMILESOc1ccc2ccn(C3CCC3)c2c1
InChIInChI=1S/C12H13NO/c14-11-5-4-9-6-7-13(12(9)8-11)10-2-1-3-10/h4-8,10,14H,1-3H2
InChIKeyZSSPZWGOLSRLRU-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.07
Rot. Bonds1

About 1-cyclobutylindol-6-ol

1-cyclobutylindol-6-ol (PubChem CID 141298764) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-cyclobutylindol-6-ol.

Molecular Properties

Compound Name1-cyclobutylindol-6-ol
PubChem CID141298764
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-cyclobutylindol-6-ol
SMILESOc1ccc2ccn(C3CCC3)c2c1
InChIInChI=1S/C12H13NO/c14-11-5-4-9-6-7-13(12(9)8-11)10-2-1-3-10/h4-8,10,14H,1-3H2
InChIKeyZSSPZWGOLSRLRU-UHFFFAOYSA-N
XLogP3.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylindol-6-ol?
The IUPAC name of 1-cyclobutylindol-6-ol (CID 141298764) is 1-cyclobutylindol-6-ol.
What is the SMILES notation for 1-cyclobutylindol-6-ol?
The canonical SMILES for 1-cyclobutylindol-6-ol is Oc1ccc2ccn(C3CCC3)c2c1.
What is the InChIKey of 1-cyclobutylindol-6-ol?
The InChIKey is ZSSPZWGOLSRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-11-5-4-9-6-7-13(12(9)8-11)10-2-1-3-10/h4-8,10,14H,1-3H2.
What are the key properties of 1-cyclobutylindol-6-ol?
1-cyclobutylindol-6-ol has a molecular weight of 187.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylindol-6-ol is sourced from PubChem (CID 141298764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).