(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one

C14H19NO — CID 92973650

IUPAC(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)[C@@H](C)N2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyAPSJUNFBAXIXLK-GFCCVEGCSA-N
MW217.31 g/mol
LogP2.66
Rot. Bonds3

About (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one

(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 92973650) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID92973650
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)[C@@H](C)N2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyAPSJUNFBAXIXLK-GFCCVEGCSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one (CID 92973650) is (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one is Cc1ccc(C(=O)[C@@H](C)N2CCCC2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is APSJUNFBAXIXLK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one?
(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 92973650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).