4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one

C11H13NO3 — CID 168702485

IUPAC4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(O)CC2=O)ccc1O
InChIInChI=1S/C11H13NO3/c1-7-4-8(2-3-10(7)14)12-6-9(13)5-11(12)15/h2-4,9,13-14H,5-6H2,1H3
InChIKeyGRXRMNIIXMFPGL-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.80
Rot. Bonds1

About 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one

4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one (PubChem CID 168702485) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
PubChem CID168702485
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(O)CC2=O)ccc1O
InChIInChI=1S/C11H13NO3/c1-7-4-8(2-3-10(7)14)12-6-9(13)5-11(12)15/h2-4,9,13-14H,5-6H2,1H3
InChIKeyGRXRMNIIXMFPGL-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702194
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168701877
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 168702108

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one (CID 168702485) is 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one is Cc1cc(N2CC(O)CC2=O)ccc1O.
What is the InChIKey of 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one?
The InChIKey is GRXRMNIIXMFPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-8(2-3-10(7)14)12-6-9(13)5-11(12)15/h2-4,9,13-14H,5-6H2,1H3.
What are the key properties of 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one?
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168702485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).