(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one

C14H19NO2 — CID 10879038

IUPAC(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyTVZLBOSPKGJOTA-LBPRGKRZSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 10879038) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID10879038
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](OCc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyTVZLBOSPKGJOTA-LBPRGKRZSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one (CID 10879038) is (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one is C[C@H](OCc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TVZLBOSPKGJOTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10879038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).