[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol

C17H24N2O2 — CID 171079902

IUPAC[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc2[nH]c(C)c(CCN3CCC[C@H]3CO)c12
InChIInChI=1S/C17H24N2O2/c1-12-14(8-10-19-9-4-5-13(19)11-20)17-15(18-12)6-3-7-16(17)21-2/h3,6-7,13,18,20H,4-5,8-11H2,1-2H3/t13-/m0/s1
InChIKeyKGHYSGBVGAXCKK-ZDUSSCGKSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds5

About [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 171079902) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID171079902
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc2[nH]c(C)c(CCN3CCC[C@H]3CO)c12
InChIInChI=1S/C17H24N2O2/c1-12-14(8-10-19-9-4-5-13(19)11-20)17-15(18-12)6-3-7-16(17)21-2/h3,6-7,13,18,20H,4-5,8-11H2,1-2H3/t13-/m0/s1
InChIKeyKGHYSGBVGAXCKK-ZDUSSCGKSA-N
XLogP2.48
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol (CID 171079902) is [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol is COc1cccc2[nH]c(C)c(CCN3CCC[C@H]3CO)c12.
What is the InChIKey of [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is KGHYSGBVGAXCKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-14(8-10-19-9-4-5-13(19)11-20)17-15(18-12)6-3-7-16(17)21-2/h3,6-7,13,18,20H,4-5,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 171079902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).