(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone

C14H19NO3 — CID 142809150

IUPAC(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC[C@H]1C
InChIInChI=1S/C14H19NO3/c1-10-6-5-9-15(10)14(16)13-11(17-2)7-4-8-12(13)18-3/h4,7-8,10H,5-6,9H2,1-3H3/t10-/m1/s1
InChIKeyUXQMQMASQDCSGX-SNVBAGLBSA-N
MW249.31 g/mol
LogP2.33
Rot. Bonds3

About (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 142809150) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
PubChem CID142809150
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC[C@H]1C
InChIInChI=1S/C14H19NO3/c1-10-6-5-9-15(10)14(16)13-11(17-2)7-4-8-12(13)18-3/h4,7-8,10H,5-6,9H2,1-3H3/t10-/m1/s1
InChIKeyUXQMQMASQDCSGX-SNVBAGLBSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 81420432
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
methyl 3-[(2S)-2-methylpyrrolidine-1-carbonyl]benzoate
CID 138479596
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone (CID 142809150) is (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCC[C@H]1C.
What is the InChIKey of (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is UXQMQMASQDCSGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-6-5-9-15(10)14(16)13-11(17-2)7-4-8-12(13)18-3/h4,7-8,10H,5-6,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 142809150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).