(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C17H22N2O3 — CID 74238881

IUPAC(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C17H22N2O3/c1-11-14-9-13(22-3)6-7-15(14)18-16(11)17(20)19-8-4-5-12(19)10-21-2/h6-7,9,12,18H,4-5,8,10H2,1-3H3/t12-/m1/s1
InChIKeyIBUKWVXHVWSVLD-GFCCVEGCSA-N
MW302.37 g/mol
LogP2.74
Rot. Bonds4

About (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 74238881) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID74238881
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)c1[nH]c2ccc(OC)cc2c1C
InChIInChI=1S/C17H22N2O3/c1-11-14-9-13(22-3)6-7-15(14)18-16(11)17(20)19-8-4-5-12(19)10-21-2/h6-7,9,12,18H,4-5,8,10H2,1-3H3/t12-/m1/s1
InChIKeyIBUKWVXHVWSVLD-GFCCVEGCSA-N
XLogP2.74
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-3-methyl-1H-indol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92626259
[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 84580768
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125387938
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 58714770
(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74244391
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
CID 135637975
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 56740155
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 84580204
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
CID 166187773
(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119062680
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 97123700

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 74238881) is (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@H]1CCCN1C(=O)c1[nH]c2ccc(OC)cc2c1C.
What is the InChIKey of (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IBUKWVXHVWSVLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-14-9-13(22-3)6-7-15(14)18-16(11)17(20)19-8-4-5-12(19)10-21-2/h6-7,9,12,18H,4-5,8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 74238881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).