(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate

C6H7NO4 — CID 178057727

IUPAC(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate
SMILESCC(=O)ON1C(=O)C=CC1O
InChIInChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3,5,9H,1H3
InChIKeyTVJUSGRSBSRZJY-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.82
Rot. Bonds1

About (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate

(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate (PubChem CID 178057727) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate.

Molecular Properties

Compound Name(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate
PubChem CID178057727
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate
SMILESCC(=O)ON1C(=O)C=CC1O
InChIInChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3,5,9H,1H3
InChIKeyTVJUSGRSBSRZJY-UHFFFAOYSA-N
XLogP-0.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 12119960
1,2-dihydroxy-2H-pyrrol-5-one
CID 19838066
methyl 2-hydroxy-5-oxo-2H-pyrrole-1-carboxylate
CID 123978690
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate
CID 129131767
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) 3-methylbutanoate
CID 137491785
(2R)-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 147233160
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate
CID 166945533
(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide
CID 175992507
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) 2-methylpropanoate
CID 178679190
(E)-4-[methoxy(methyl)amino]-4-oxobut-2-enoic acid
CID 14845950
(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 101012182
(E)-4-(1,2-oxazolidin-2-yl)-4-oxobut-2-enoic acid
CID 104101742

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate?
The IUPAC name of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate (CID 178057727) is (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate.
What is the SMILES notation for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate?
The canonical SMILES for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate is CC(=O)ON1C(=O)C=CC1O.
What is the InChIKey of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate?
The InChIKey is TVJUSGRSBSRZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3,5,9H,1H3.
What are the key properties of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate?
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate has a molecular weight of 157.12 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate is sourced from PubChem (CID 178057727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).