1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone

C13H17NO2 — CID 66291636

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C13H17NO2/c1-10-3-2-4-11(7-10)8-13(16)14-6-5-12(15)9-14/h2-4,7,12,15H,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyKTRAAKZNBFVOHN-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.13
Rot. Bonds2

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 66291636) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID66291636
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C13H17NO2/c1-10-3-2-4-11(7-10)8-13(16)14-6-5-12(15)9-14/h2-4,7,12,15H,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyKTRAAKZNBFVOHN-GFCCVEGCSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2-(3-methylphenyl)-1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 167903948
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 124760656
2-(3-methylphenyl)-1-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124725456
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone (CID 66291636) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is KTRAAKZNBFVOHN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-3-2-4-11(7-10)8-13(16)14-6-5-12(15)9-14/h2-4,7,12,15H,5-6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 66291636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).