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

C5H6ClNO2 — CID 135170578

IUPAC4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C(Cl)=CC1O
InChIInChI=1S/C5H6ClNO2/c1-7-4(8)2-3(6)5(7)9/h2,4,8H,1H3
InChIKeyOVDAQTQQWAXAFN-UHFFFAOYSA-N
MW147.56 g/mol
LogP-0.10
Rot. Bonds

About 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one

4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 135170578) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID135170578
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C(Cl)=CC1O
InChIInChI=1S/C5H6ClNO2/c1-7-4(8)2-3(6)5(7)9/h2,4,8H,1H3
InChIKeyOVDAQTQQWAXAFN-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

2-hydroxy-1-methyl-4-propan-2-yl-2H-pyrrol-5-one
CID 135170663
3-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 146290366
4-hydroxy-1,3-dimethyl-6-(trifluoromethyl)-4H-pyrimidin-2-one
CID 162548687
3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one
CID 142330789
3-hydroxy-2-methyl-3H-pyrido[1,2-c]pyrimidin-1-one
CID 137429134
2-hydroxy-4-methyl-5-oxo-2H-pyrrole-1-carbaldehyde
CID 13250058
(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
CID 11159377
4-bromo-2-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 163973220
5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one
CID 166933181
gold;[4-[1-(4-hydroxy-3-methyl-2-oxo-1,4-dihydropyrimidin-6-yl)pyridin-1-ium-4-yl]piperidin-1-yl]methanedithiolate
CID 162293529
(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) acetate
CID 135170500
2-hydroxy-1-(methoxymethyl)-4-methyl-2H-pyrrol-5-one
CID 90374988

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one (CID 135170578) is 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one is CN1C(=O)C(Cl)=CC1O.
What is the InChIKey of 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is OVDAQTQQWAXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c1-7-4(8)2-3(6)5(7)9/h2,4,8H,1H3.
What are the key properties of 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one?
4-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 4-chloro-2-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135170578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).