(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C14H19NO2 — CID 94299244

IUPAC(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-5-7-13(8-6-11)17-12(2)14(16)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyDGWAFPJQILOVAM-LBPRGKRZSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 94299244) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID94299244
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-5-7-13(8-6-11)17-12(2)14(16)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyDGWAFPJQILOVAM-LBPRGKRZSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
CID 60627945
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803715
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 94299244) is (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DGWAFPJQILOVAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-7-13(8-6-11)17-12(2)14(16)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 94299244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).