(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one

C6H9NO3 — CID 102578570

IUPAC(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
SMILESO=C1C=C[C@H](O)N1CCO
InChIInChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,5,8-9H,3-4H2/t5-/m0/s1
InChIKeyPUBAIOMOCNKHMZ-YFKPBYRVSA-N
MW143.14 g/mol
LogP-1.30
Rot. Bonds2

About (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one

(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (PubChem CID 102578570) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
PubChem CID102578570
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
SMILESO=C1C=C[C@H](O)N1CCO
InChIInChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,5,8-9H,3-4H2/t5-/m0/s1
InChIKeyPUBAIOMOCNKHMZ-YFKPBYRVSA-N
XLogP-1.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 458487
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CID 10898807
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
N-allyl-N-(2-hydroxyethyl)acrylamide
CID 87249562
1-tert-butyl-2-hydroxy-2H-pyrrol-5-one
CID 12229405
1-(2-hydroxyethyl)-5-methoxy-1H-pyrrol-2(5H)-one
CID 44472012
1-fluoro-2-hydroxy-2H-pyrrol-5-one
CID 101203562
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
2-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
CID 12119959
2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 12119960
N-(2-hydroxyethyl)-N-(hydroxymethyl)prop-2-enamide
CID 18792569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (CID 102578570) is (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one is O=C1C=C[C@H](O)N1CCO.
What is the InChIKey of (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
The InChIKey is PUBAIOMOCNKHMZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,5,8-9H,3-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one?
(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one has a molecular weight of 143.14 g/mol, XLogP of -1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 102578570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).