3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol

C13H16N2O — CID 29448

IUPAC3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol
SMILESCN1CCCC1c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O/c1-15-6-2-3-13(15)11-8-14-12-5-4-9(16)7-10(11)12/h4-5,7-8,13-14,16H,2-3,6H2,1H3
InChIKeyHHBINXFSYMUNAH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.64
Rot. Bonds1

About 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol

3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol (PubChem CID 29448) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol
PubChem CID29448
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol
SMILESCN1CCCC1c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O/c1-15-6-2-3-13(15)11-8-14-12-5-4-9(16)7-10(11)12/h4-5,7-8,13-14,16H,2-3,6H2,1H3
InChIKeyHHBINXFSYMUNAH-UHFFFAOYSA-N
XLogP2.64
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol (CID 29448) is 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol is CN1CCCC1c1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol?
The InChIKey is HHBINXFSYMUNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-6-2-3-13(15)11-8-14-12-5-4-9(16)7-10(11)12/h4-5,7-8,13-14,16H,2-3,6H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol?
3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol has a molecular weight of 216.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol is sourced from PubChem (CID 29448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).