3-(3H-indol-2-yl)propan-1-ol

C11H13NO — CID 58419510

IUPAC3-(3H-indol-2-yl)propan-1-ol
SMILESOCCCC1=Nc2ccccc2C1
InChIInChI=1S/C11H13NO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12-10/h1-2,4,6,13H,3,5,7-8H2
InChIKeyRLBSZOWLZNZORI-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds3

About 3-(3H-indol-2-yl)propan-1-ol

3-(3H-indol-2-yl)propan-1-ol (PubChem CID 58419510) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(3H-indol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3H-indol-2-yl)propan-1-ol
PubChem CID58419510
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(3H-indol-2-yl)propan-1-ol
SMILESOCCCC1=Nc2ccccc2C1
InChIInChI=1S/C11H13NO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12-10/h1-2,4,6,13H,3,5,7-8H2
InChIKeyRLBSZOWLZNZORI-UHFFFAOYSA-N
XLogP2.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-indol-2-yl)propan-1-ol?
The IUPAC name of 3-(3H-indol-2-yl)propan-1-ol (CID 58419510) is 3-(3H-indol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3H-indol-2-yl)propan-1-ol?
The canonical SMILES for 3-(3H-indol-2-yl)propan-1-ol is OCCCC1=Nc2ccccc2C1.
What is the InChIKey of 3-(3H-indol-2-yl)propan-1-ol?
The InChIKey is RLBSZOWLZNZORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12-10/h1-2,4,6,13H,3,5,7-8H2.
What are the key properties of 3-(3H-indol-2-yl)propan-1-ol?
3-(3H-indol-2-yl)propan-1-ol has a molecular weight of 175.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-indol-2-yl)propan-1-ol is sourced from PubChem (CID 58419510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).