3-amino-1-phenylmethoxypyrrolidin-2-one

C11H14N2O2 — CID 14463814

IUPAC3-amino-1-phenylmethoxypyrrolidin-2-one
SMILESNC1CCN(OCc2ccccc2)C1=O
InChIInChI=1S/C11H14N2O2/c12-10-6-7-13(11(10)14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyYZGUOBZPQDVTDL-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-1-phenylmethoxypyrrolidin-2-one

3-amino-1-phenylmethoxypyrrolidin-2-one (PubChem CID 14463814) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-amino-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-phenylmethoxypyrrolidin-2-one
PubChem CID14463814
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-amino-1-phenylmethoxypyrrolidin-2-one
SMILESNC1CCN(OCc2ccccc2)C1=O
InChIInChI=1S/C11H14N2O2/c12-10-6-7-13(11(10)14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyYZGUOBZPQDVTDL-UHFFFAOYSA-N
XLogP0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 3-amino-1-phenylmethoxypyrrolidin-2-one (CID 14463814) is 3-amino-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 3-amino-1-phenylmethoxypyrrolidin-2-one is NC1CCN(OCc2ccccc2)C1=O.
What is the InChIKey of 3-amino-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is YZGUOBZPQDVTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10-6-7-13(11(10)14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2.
What are the key properties of 3-amino-1-phenylmethoxypyrrolidin-2-one?
3-amino-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 14463814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).