2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol

C17H24N2O — CID 112719753

IUPAC2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
SMILESCc1ccc2c(c1)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C17H24N2O/c1-14-4-5-17-16(12-14)15(13-19(17)10-11-20)6-9-18-7-2-3-8-18/h4-5,12-13,20H,2-3,6-11H2,1H3
InChIKeyHDXSUAKYUMWWOX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.58
Rot. Bonds5

About 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol

2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol (PubChem CID 112719753) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
PubChem CID112719753
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
SMILESCc1ccc2c(c1)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C17H24N2O/c1-14-4-5-17-16(12-14)15(13-19(17)10-11-20)6-9-18-7-2-3-8-18/h4-5,12-13,20H,2-3,6-11H2,1H3
InChIKeyHDXSUAKYUMWWOX-UHFFFAOYSA-N
XLogP2.58
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
The IUPAC name of 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol (CID 112719753) is 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
The canonical SMILES for 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol is Cc1ccc2c(c1)c(CCN1CCCC1)cn2CCO.
What is the InChIKey of 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
The InChIKey is HDXSUAKYUMWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-4-5-17-16(12-14)15(13-19(17)10-11-20)6-9-18-7-2-3-8-18/h4-5,12-13,20H,2-3,6-11H2,1H3.
What are the key properties of 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol?
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol has a molecular weight of 272.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol is sourced from PubChem (CID 112719753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).