3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol

C11H15NO — CID 112716720

IUPAC3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol
SMILESCCC1c2c(O)cccc2NC1C
InChIInChI=1S/C11H15NO/c1-3-8-7(2)12-9-5-4-6-10(13)11(8)9/h4-8,12-13H,3H2,1-2H3
InChIKeyACSJVMPXJLCDTH-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.70
Rot. Bonds1

About 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol

3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol (PubChem CID 112716720) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol
PubChem CID112716720
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol
SMILESCCC1c2c(O)cccc2NC1C
InChIInChI=1S/C11H15NO/c1-3-8-7(2)12-9-5-4-6-10(13)11(8)9/h4-8,12-13H,3H2,1-2H3
InChIKeyACSJVMPXJLCDTH-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol?
The IUPAC name of 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol (CID 112716720) is 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol.
What is the SMILES notation for 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol?
The canonical SMILES for 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol is CCC1c2c(O)cccc2NC1C.
What is the InChIKey of 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol?
The InChIKey is ACSJVMPXJLCDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-7(2)12-9-5-4-6-10(13)11(8)9/h4-8,12-13H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol?
3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol has a molecular weight of 177.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2,3-dihydro-1H-indol-4-ol is sourced from PubChem (CID 112716720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).