2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C13H16ClNO2 — CID 79030258

IUPAC2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C13H16ClNO2/c14-11-4-1-3-10(7-11)8-13(17)15-6-2-5-12(15)9-16/h1,3-4,7,12,16H,2,5-6,8-9H2/t12-/m1/s1
InChIKeySATHQFALTCAOEK-GFCCVEGCSA-N
MW253.73 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 79030258) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID79030258
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C13H16ClNO2/c14-11-4-1-3-10(7-11)8-13(17)15-6-2-5-12(15)9-16/h1,3-4,7,12,16H,2,5-6,8-9H2/t12-/m1/s1
InChIKeySATHQFALTCAOEK-GFCCVEGCSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 79030258) is 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1CO.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SATHQFALTCAOEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-4-1-3-10(7-11)8-13(17)15-6-2-5-12(15)9-16/h1,3-4,7,12,16H,2,5-6,8-9H2/t12-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 253.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 79030258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).