1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one

C14H12ClNO2 — CID 168703739

IUPAC1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccc2cccc(Cl)c12
InChIInChI=1S/C14H12ClNO2/c15-11-5-1-3-9-4-2-6-12(14(9)11)16-8-10(17)7-13(16)18/h1-6,10,17H,7-8H2
InChIKeyATHZNBGOTRTBCR-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.59
Rot. Bonds1

About 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one

1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703739) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168703739
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccc2cccc(Cl)c12
InChIInChI=1S/C14H12ClNO2/c15-11-5-1-3-9-4-2-6-12(14(9)11)16-8-10(17)7-13(16)18/h1-6,10,17H,7-8H2
InChIKeyATHZNBGOTRTBCR-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
[1-(8-chloronaphthalen-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677454
S-[[1-(8-chloronaphthalen-1-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668617
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
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
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
CID 168702593
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168703708
1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168710558
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one (CID 168703739) is 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cccc2cccc(Cl)c12.
What is the InChIKey of 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is ATHZNBGOTRTBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-11-5-1-3-9-4-2-6-12(14(9)11)16-8-10(17)7-13(16)18/h1-6,10,17H,7-8H2.
What are the key properties of 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one?
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 261.71 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).