2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

C16H20N2O2 — CID 110935930

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C16H20N2O2/c1-11-16(13-6-2-3-7-14(13)17-11)15(20)9-18-8-4-5-12(18)10-19/h2-3,6-7,12,17,19H,4-5,8-10H2,1H3/t12-/m1/s1
InChIKeyQLERJJXJBGDBDP-GFCCVEGCSA-N
MW272.35 g/mol
LogP2.12
Rot. Bonds4

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 110935930) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID110935930
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C16H20N2O2/c1-11-16(13-6-2-3-7-14(13)17-11)15(20)9-18-8-4-5-12(18)10-19/h2-3,6-7,12,17,19H,4-5,8-10H2,1H3/t12-/m1/s1
InChIKeyQLERJJXJBGDBDP-GFCCVEGCSA-N
XLogP2.12
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 55626329
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methyl-2H-isoquinolin-1-one
CID 23084624

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 110935930) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]1CO.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is QLERJJXJBGDBDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-16(13-6-2-3-7-14(13)17-11)15(20)9-18-8-4-5-12(18)10-19/h2-3,6-7,12,17,19H,4-5,8-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 110935930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).