2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol

C15H20N2O — CID 116860335

IUPAC2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol
SMILESCn1cc(C(CO)N2CCCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-16-10-13(12-6-2-3-7-14(12)16)15(11-18)17-8-4-5-9-17/h2-3,6-7,10,15,18H,4-5,8-9,11H2,1H3
InChIKeyTYFXLMKKUJCUOK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds3

About 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol

2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol (PubChem CID 116860335) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol
PubChem CID116860335
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol
SMILESCn1cc(C(CO)N2CCCC2)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-16-10-13(12-6-2-3-7-14(12)16)15(11-18)17-8-4-5-9-17/h2-3,6-7,10,15,18H,4-5,8-9,11H2,1H3
InChIKeyTYFXLMKKUJCUOK-UHFFFAOYSA-N
XLogP2.31
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
CID 95487496
benzene;N-(1H-indol-6-ylsulfanyl)-2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 162743410
2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
CID 116860154
1-methyl-3-propan-2-ylindole
CID 10942942
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
1-(1-methylindol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821284
N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 170162701
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 54775953
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
N-(cyanomethyl)-N-[2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethyl]-1H-indole-6-sulfonamide
CID 162743412

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol (CID 116860335) is 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol is Cn1cc(C(CO)N2CCCC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol?
The InChIKey is TYFXLMKKUJCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-10-13(12-6-2-3-7-14(12)16)15(11-18)17-8-4-5-9-17/h2-3,6-7,10,15,18H,4-5,8-9,11H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol?
2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol has a molecular weight of 244.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 116860335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).