5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol

C12H17NO — CID 89199090

IUPAC5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol
SMILESCC(C)(C)C1=CC2C=CNC2C=C1O
InChIInChI=1S/C12H17NO/c1-12(2,3)9-6-8-4-5-13-10(8)7-11(9)14/h4-8,10,13-14H,1-3H3
InChIKeyIUZNNWYCEUAQPE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.52
Rot. Bonds

About 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol

5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol (PubChem CID 89199090) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol.

Molecular Properties

Compound Name5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol
PubChem CID89199090
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol
SMILESCC(C)(C)C1=CC2C=CNC2C=C1O
InChIInChI=1S/C12H17NO/c1-12(2,3)9-6-8-4-5-13-10(8)7-11(9)14/h4-8,10,13-14H,1-3H3
InChIKeyIUZNNWYCEUAQPE-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol?
The IUPAC name of 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol (CID 89199090) is 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol.
What is the SMILES notation for 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol?
The canonical SMILES for 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol is CC(C)(C)C1=CC2C=CNC2C=C1O.
What is the InChIKey of 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol?
The InChIKey is IUZNNWYCEUAQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)9-6-8-4-5-13-10(8)7-11(9)14/h4-8,10,13-14H,1-3H3.
What are the key properties of 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol?
5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol has a molecular weight of 191.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol is sourced from PubChem (CID 89199090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).