5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one

C12H15NO3 — CID 22592553

IUPAC5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CCC(CO)N1OCc1ccccc1
InChIInChI=1S/C12H15NO3/c14-8-11-6-7-12(15)13(11)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyIDJGICDLEQWBMA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.10
Rot. Bonds4

About 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one

5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one (PubChem CID 22592553) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
PubChem CID22592553
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CCC(CO)N1OCc1ccccc1
InChIInChI=1S/C12H15NO3/c14-8-11-6-7-12(15)13(11)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyIDJGICDLEQWBMA-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-5-(1,4,7-triazonan-1-ylmethyl)pyrrolidin-2-one
CID 67571689
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
CID 58249802
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(5S,11bR)-5-(hydroxymethyl)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956907
5-(2-methoxy-1,3-dithian-2-yl)-1-phenylmethoxypyrrolidin-2-one
CID 102136144
ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
CID 24744407
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione
CID 10981008
methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 14811604
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one (CID 22592553) is 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one is O=C1CCC(CO)N1OCc1ccccc1.
What is the InChIKey of 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is IDJGICDLEQWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-11-6-7-12(15)13(11)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2.
What are the key properties of 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one?
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 22592553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).