[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol

C25H30N2O2 — CID 86272787

IUPAC[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc2cc(-c3cccc(OC4CCCC4)c3)ccc2[nH]1
InChIInChI=1S/C25H30N2O2/c28-17-22-6-4-12-27(22)16-21-14-20-13-19(10-11-25(20)26-21)18-5-3-9-24(15-18)29-23-7-1-2-8-23/h3,5,9-11,13-15,22-23,26,28H,1-2,4,6-8,12,16-17H2/t22-/m1/s1
InChIKeySDXYRAOKJWZJBU-JOCHJYFZSA-N
MW390.53 g/mol
LogP5.11
Rot. Bonds6

About [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 86272787) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID86272787
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc2cc(-c3cccc(OC4CCCC4)c3)ccc2[nH]1
InChIInChI=1S/C25H30N2O2/c28-17-22-6-4-12-27(22)16-21-14-20-13-19(10-11-25(20)26-21)18-5-3-9-24(15-18)29-23-7-1-2-8-23/h3,5,9-11,13-15,22-23,26,28H,1-2,4,6-8,12,16-17H2/t22-/m1/s1
InChIKeySDXYRAOKJWZJBU-JOCHJYFZSA-N
XLogP5.11
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 86272787) is [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1cc2cc(-c3cccc(OC4CCCC4)c3)ccc2[nH]1.
What is the InChIKey of [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is SDXYRAOKJWZJBU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-17-22-6-4-12-27(22)16-21-14-20-13-19(10-11-25(20)26-21)18-5-3-9-24(15-18)29-23-7-1-2-8-23/h3,5,9-11,13-15,22-23,26,28H,1-2,4,6-8,12,16-17H2/t22-/m1/s1.
What are the key properties of [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 390.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-(3-cyclopentyloxyphenyl)-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 86272787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).