7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol

C11H15NO — CID 155474486

IUPAC7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol
SMILESCC(C)C1=CC(O)=CC2C=CNC12
InChIInChI=1S/C11H15NO/c1-7(2)10-6-9(13)5-8-3-4-12-11(8)10/h3-8,11-13H,1-2H3
InChIKeyFCXQAQYNSCWLJO-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.13
Rot. Bonds1

About 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol

7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol (PubChem CID 155474486) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol
PubChem CID155474486
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol
SMILESCC(C)C1=CC(O)=CC2C=CNC12
InChIInChI=1S/C11H15NO/c1-7(2)10-6-9(13)5-8-3-4-12-11(8)10/h3-8,11-13H,1-2H3
InChIKeyFCXQAQYNSCWLJO-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol?
The IUPAC name of 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol (CID 155474486) is 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol.
What is the SMILES notation for 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol?
The canonical SMILES for 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol is CC(C)C1=CC(O)=CC2C=CNC12.
What is the InChIKey of 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol?
The InChIKey is FCXQAQYNSCWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)10-6-9(13)5-8-3-4-12-11(8)10/h3-8,11-13H,1-2H3.
What are the key properties of 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol?
7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol has a molecular weight of 177.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol is sourced from PubChem (CID 155474486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).