[(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone

C11H13NO2 — CID 58357553

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C11H13NO2/c13-10-6-7-12(8-10)11(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m0/s1
InChIKeyNZIAOXLDVHVVAD-JTQLQIEISA-N
MW191.23 g/mol
LogP0.89
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone

[(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone (PubChem CID 58357553) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone
PubChem CID58357553
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C11H13NO2/c13-10-6-7-12(8-10)11(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m0/s1
InChIKeyNZIAOXLDVHVVAD-JTQLQIEISA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone (CID 58357553) is [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
The InChIKey is NZIAOXLDVHVVAD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-6-7-12(8-10)11(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone has a molecular weight of 191.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 58357553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).