1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol

C12H17NO — CID 117119063

IUPAC1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CNc2ccccc21
InChIInChI=1S/C12H17NO/c1-12(2,14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyJJUDRHYXNRGGLD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol

1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol (PubChem CID 117119063) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
PubChem CID117119063
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CNc2ccccc21
InChIInChI=1S/C12H17NO/c1-12(2,14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyJJUDRHYXNRGGLD-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol (CID 117119063) is 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol is CC(C)(O)CC1CNc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol?
The InChIKey is JJUDRHYXNRGGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol?
1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117119063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).