1-phenoxypyrrolidin-2-one

C10H11NO2 — CID 67175773

IUPAC1-phenoxypyrrolidin-2-one
SMILESO=C1CCCN1Oc1ccccc1
InChIInChI=1S/C10H11NO2/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyBQCKZGIDKGPTQL-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.60
Rot. Bonds2

About 1-phenoxypyrrolidin-2-one

1-phenoxypyrrolidin-2-one (PubChem CID 67175773) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-phenoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-phenoxypyrrolidin-2-one
PubChem CID67175773
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-phenoxypyrrolidin-2-one
SMILESO=C1CCCN1Oc1ccccc1
InChIInChI=1S/C10H11NO2/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyBQCKZGIDKGPTQL-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-oxopyrrolidin-1-yl)-triphenoxyphosphanium
CID 174946949
phenyl 2-oxopiperidine-1-carboxylate
CID 10036365
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
(2-oxopyrrolidin-1-yl) hydrogen carbonate
CID 57473687
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 11264129
4-oxo-4-[4-(2-oxoazetidin-1-yl)oxyphenyl]butanenitrile
CID 57143553
(2-oxopyrrolidin-1-yl) formate;silver
CID 87555007
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
chloro(triphenyl)stannane;1-ethenylpyrrolidin-2-one
CID 86740183

Frequently Asked Questions

What is the IUPAC name of 1-phenoxypyrrolidin-2-one?
The IUPAC name of 1-phenoxypyrrolidin-2-one (CID 67175773) is 1-phenoxypyrrolidin-2-one.
What is the SMILES notation for 1-phenoxypyrrolidin-2-one?
The canonical SMILES for 1-phenoxypyrrolidin-2-one is O=C1CCCN1Oc1ccccc1.
What is the InChIKey of 1-phenoxypyrrolidin-2-one?
The InChIKey is BQCKZGIDKGPTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 1-phenoxypyrrolidin-2-one?
1-phenoxypyrrolidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxypyrrolidin-2-one is sourced from PubChem (CID 67175773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).