1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one

C10H10ClNO3 — CID 168703922

IUPAC1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccc(Cl)c1O
InChIInChI=1S/C10H10ClNO3/c11-7-2-1-3-8(10(7)15)12-5-6(13)4-9(12)14/h1-3,6,13,15H,4-5H2
InChIKeyDYPZBBJFKXKDAX-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.14
Rot. Bonds1

About 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one

1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703922) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703922
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccc(Cl)c1O
InChIInChI=1S/C10H10ClNO3/c11-7-2-1-3-8(10(7)15)12-5-6(13)4-9(12)14/h1-3,6,13,15H,4-5H2
InChIKeyDYPZBBJFKXKDAX-UHFFFAOYSA-N
XLogP1.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168710558
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168702711
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168703708
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one (CID 168703922) is 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cccc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is DYPZBBJFKXKDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-7-2-1-3-8(10(7)15)12-5-6(13)4-9(12)14/h1-3,6,13,15H,4-5H2.
What are the key properties of 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one?
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 227.65 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).