1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone

C16H20N2O2 — CID 99698712

IUPAC1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
SMILESCc1cccc2c(CC(=O)N3CCC[C@@H]3CO)c[nH]c12
InChIInChI=1S/C16H20N2O2/c1-11-4-2-6-14-12(9-17-16(11)14)8-15(20)18-7-3-5-13(18)10-19/h2,4,6,9,13,17,19H,3,5,7-8,10H2,1H3/t13-/m1/s1
InChIKeyYTCLMGHZYSROLW-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone (PubChem CID 99698712) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
PubChem CID99698712
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
SMILESCc1cccc2c(CC(=O)N3CCC[C@@H]3CO)c[nH]c12
InChIInChI=1S/C16H20N2O2/c1-11-4-2-6-14-12(9-17-16(11)14)8-15(20)18-7-3-5-13(18)10-19/h2,4,6,9,13,17,19H,3,5,7-8,10H2,1H3/t13-/m1/s1
InChIKeyYTCLMGHZYSROLW-CYBMUJFWSA-N
XLogP2.00
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone (CID 99698712) is 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone is Cc1cccc2c(CC(=O)N3CCC[C@@H]3CO)c[nH]c12.
What is the InChIKey of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
The InChIKey is YTCLMGHZYSROLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-2-6-14-12(9-17-16(11)14)8-15(20)18-7-3-5-13(18)10-19/h2,4,6,9,13,17,19H,3,5,7-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 99698712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).