4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one

C12H15NO3 — CID 168664094

IUPAC4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cccc(CO)c1
InChIInChI=1S/C12H15NO3/c14-7-9-2-1-3-11(4-9)13-6-10(8-15)5-12(13)16/h1-4,10,14-15H,5-8H2
InChIKeyOEYNQMOXRJFVFV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.52
Rot. Bonds3

About 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one (PubChem CID 168664094) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
PubChem CID168664094
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1cccc(CO)c1
InChIInChI=1S/C12H15NO3/c14-7-9-2-1-3-11(4-9)13-6-10(8-15)5-12(13)16/h1-4,10,14-15H,5-8H2
InChIKeyOEYNQMOXRJFVFV-UHFFFAOYSA-N
XLogP0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid
CID 168664089
4-(bromomethyl)-1-[3-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168506138
4-(hydroxymethyl)-1-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 168661998
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168662883
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-dihydroindazol-3-one
CID 168663549
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one (CID 168664094) is 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one is O=C1CC(CO)CN1c1cccc(CO)c1.
What is the InChIKey of 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one?
The InChIKey is OEYNQMOXRJFVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-7-9-2-1-3-11(4-9)13-6-10(8-15)5-12(13)16/h1-4,10,14-15H,5-8H2.
What are the key properties of 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168664094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).