5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one

C12H15NO3 — CID 90463062

IUPAC5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1C(=O)CCC1CO
InChIInChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)13-9(8-14)6-7-12(13)15/h2-5,9,14H,6-8H2,1H3
InChIKeyHERNXMFRPPHIEH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds3

About 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one

5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 90463062) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID90463062
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1C(=O)CCC1CO
InChIInChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)13-9(8-14)6-7-12(13)15/h2-5,9,14H,6-8H2,1H3
InChIKeyHERNXMFRPPHIEH-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
CID 101074917
(5R)-5-(methoxymethyl)-1-(2-triphenylsilyloxyphenyl)pyrrolidin-2-one
CID 101019877
(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
CID 39221193
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
2-(2-methoxyphenyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 102474362
2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 134544893
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
1-(4-hept-1-ynylnaphthalen-1-yl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 141007351
3-cyclopropyl-6-ethyl-1-(2-methoxyphenyl)piperazine-2,5-dione
CID 64956371
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
(5S,11bR)-5-(hydroxymethyl)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956907
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 90463062) is 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1C(=O)CCC1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is HERNXMFRPPHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11-5-3-2-4-10(11)13-9(8-14)6-7-12(13)15/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one?
5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90463062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).