[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C13H17NO3 — CID 688140

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C13H17NO3/c1-17-12-7-3-2-6-11(12)13(16)14-8-4-5-10(14)9-15/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyZPRSXRGRMZPZQY-SNVBAGLBSA-N
MW235.28 g/mol
LogP1.29
Rot. Bonds3

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 688140) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID688140
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C13H17NO3/c1-17-12-7-3-2-6-11(12)13(16)14-8-4-5-10(14)9-15/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyZPRSXRGRMZPZQY-SNVBAGLBSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Iodopride
CID 3082754
2-[(2-Methoxyphenyl)formamido]acetic acid
CID 791250
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CID 9977544
N-(2-Hydroxybenzoyl)pyrrolidine
CID 225361
2-Methoxy-N,N-dimethylbenzamide
CID 11159646
2-[3-Hydroxy-1-(4-methoxyphenyl)propyl]-1-isoindolinone
CID 3775723
(2-Methoxyphenyl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
CID 2930201
(2,4-Dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 44590005
3-Hydroxyaniracetam
CID 174127
Benzamide, 2-methoxy-N-(2-(pyrrolidinyl)ethyl)-
CID 52095
(S)-(-)-1-(2-Methoxybenzoyl)-2-pyrrolidinemethanol
CID 643446
3-Hydroxy-2-(2-isobutoxy-benzoylamino)-propionic acid
CID 3102731

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 688140) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is ZPRSXRGRMZPZQY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12-7-3-2-6-11(12)13(16)14-8-4-5-10(14)9-15/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 688140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).