1-phenylmethoxypyrrolidin-2-one

C11H13NO2 — CID 14112078

IUPAC1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CCCN1OCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyKHQWONFYCDFUCP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds3

About 1-phenylmethoxypyrrolidin-2-one

1-phenylmethoxypyrrolidin-2-one (PubChem CID 14112078) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-phenylmethoxypyrrolidin-2-one
PubChem CID14112078
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CCCN1OCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyKHQWONFYCDFUCP-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 1-phenylmethoxypyrrolidin-2-one (CID 14112078) is 1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 1-phenylmethoxypyrrolidin-2-one is O=C1CCCN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypyrrolidin-2-one?
The InChIKey is KHQWONFYCDFUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 1-phenylmethoxypyrrolidin-2-one?
1-phenylmethoxypyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 14112078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).