3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one

C5H6ClNO2 — CID 146290366

IUPAC3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C=C(Cl)C1O
InChIInChI=1S/C5H6ClNO2/c1-7-4(8)2-3(6)5(7)9/h2,5,9H,1H3
InChIKeyOPSXBXFNLSNPRS-UHFFFAOYSA-N
MW147.56 g/mol
LogP-0.10
Rot. Bonds

About 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one

3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 146290366) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID146290366
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C=C(Cl)C1O
InChIInChI=1S/C5H6ClNO2/c1-7-4(8)2-3(6)5(7)9/h2,5,9H,1H3
InChIKeyOPSXBXFNLSNPRS-UHFFFAOYSA-N
XLogP-0.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one (CID 146290366) is 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one is CN1C(=O)C=C(Cl)C1O.
What is the InChIKey of 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is OPSXBXFNLSNPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c1-7-4(8)2-3(6)5(7)9/h2,5,9H,1H3.
What are the key properties of 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 147.56 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).