4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one

C15H20N2O2 — CID 168703708

IUPAC4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccccc1CN1CCCC1
InChIInChI=1S/C15H20N2O2/c18-13-9-15(19)17(11-13)14-6-2-1-5-12(14)10-16-7-3-4-8-16/h1-2,5-6,13,18H,3-4,7-11H2
InChIKeyVFPGCWKAMUFANZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.38
Rot. Bonds3

About 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one

4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one (PubChem CID 168703708) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
PubChem CID168703708
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccccc1CN1CCCC1
InChIInChI=1S/C15H20N2O2/c18-13-9-15(19)17(11-13)14-6-2-1-5-12(14)10-16-7-3-4-8-16/h1-2,5-6,13,18H,3-4,7-11H2
InChIKeyVFPGCWKAMUFANZ-UHFFFAOYSA-N
XLogP1.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethynyl-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168502589
4-(chloromethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168509230
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712710
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719152
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 55676988
S-[1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706989
1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719153
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55866339
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one (CID 168703708) is 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one is O=C1CC(O)CN1c1ccccc1CN1CCCC1.
What is the InChIKey of 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one?
The InChIKey is VFPGCWKAMUFANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-13-9-15(19)17(11-13)14-6-2-1-5-12(14)10-16-7-3-4-8-16/h1-2,5-6,13,18H,3-4,7-11H2.
What are the key properties of 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one?
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168703708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).