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

C13H17NO3 — CID 129367623

IUPAC[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C13H17NO3/c1-17-12-5-3-2-4-11(12)13(16)14-7-6-10(8-14)9-15/h2-5,10,15H,6-9H2,1H3/t10-/m1/s1
InChIKeyJLZGNDHYKCWJPO-SNVBAGLBSA-N
MW235.28 g/mol
LogP1.15
Rot. Bonds3

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

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 129367623) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID129367623
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C13H17NO3/c1-17-12-5-3-2-4-11(12)13(16)14-7-6-10(8-14)9-15/h2-5,10,15H,6-9H2,1H3/t10-/m1/s1
InChIKeyJLZGNDHYKCWJPO-SNVBAGLBSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 129367623) is [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is JLZGNDHYKCWJPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12-5-3-2-4-11(12)13(16)14-7-6-10(8-14)9-15/h2-5,10,15H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 129367623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).