[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C12H15NO3 — CID 10560934

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)12(15)13-7-6-9(14)8-13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
InChIKeyGTVXKCZVWAIBGY-SECBINFHSA-N
MW221.26 g/mol
LogP0.90
Rot. Bonds2

About [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 10560934) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID10560934
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)12(15)13-7-6-9(14)8-13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
InChIKeyGTVXKCZVWAIBGY-SECBINFHSA-N
XLogP0.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
CID 53385289
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 10560934) is [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is GTVXKCZVWAIBGY-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)12(15)13-7-6-9(14)8-13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 10560934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).