1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone

C13H17NO — CID 124704358

IUPAC1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[C@@]1(C)CCCN1
InChIInChI=1S/C13H17NO/c1-10(15)11-6-3-4-7-12(11)13(2)8-5-9-14-13/h3-4,6-7,14H,5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyHHQSXAYJFARQFD-CYBMUJFWSA-N
MW203.29 g/mol
LogP2.49
Rot. Bonds2

About 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone

1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone (PubChem CID 124704358) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
PubChem CID124704358
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[C@@]1(C)CCCN1
InChIInChI=1S/C13H17NO/c1-10(15)11-6-3-4-7-12(11)13(2)8-5-9-14-13/h3-4,6-7,14H,5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyHHQSXAYJFARQFD-CYBMUJFWSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
CID 117463871
1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400051
1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
CID 117436061
1-[2-(3-hydroxythian-3-yl)phenyl]ethanone
CID 105498127
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
1-[2-(4-hydroxy-1-methylpiperidin-4-yl)phenyl]ethanone
CID 105493011

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone (CID 124704358) is 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone is CC(=O)c1ccccc1[C@@]1(C)CCCN1.
What is the InChIKey of 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone?
The InChIKey is HHQSXAYJFARQFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(15)11-6-3-4-7-12(11)13(2)8-5-9-14-13/h3-4,6-7,14H,5,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone?
1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone has a molecular weight of 203.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone is sourced from PubChem (CID 124704358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).