(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one

C7H11NO3 — CID 102578573

IUPAC(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
SMILESC[C@]1(O)C=CC(=O)N1CCO
InChIInChI=1S/C7H11NO3/c1-7(11)3-2-6(10)8(7)4-5-9/h2-3,9,11H,4-5H2,1H3/t7-/m0/s1
InChIKeyLIGBSCCXFYDPEB-ZETCQYMHSA-N
MW157.17 g/mol
LogP-0.91
Rot. Bonds2

About (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one

(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one (PubChem CID 102578573) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
PubChem CID102578573
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
SMILESC[C@]1(O)C=CC(=O)N1CCO
InChIInChI=1S/C7H11NO3/c1-7(11)3-2-6(10)8(7)4-5-9/h2-3,9,11H,4-5H2,1H3/t7-/m0/s1
InChIKeyLIGBSCCXFYDPEB-ZETCQYMHSA-N
XLogP-0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N,N-Diethyl-4-hydroxy-2-pentenamide
CID 18799855
2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 44472011
5-Hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
CID 44472131
N,N-diethyl-4-hydroxypent-2-enamide
CID 53669313
5-Hydroxy-1-(4-hydroxybutyl)-5-methylpyrrol-2-one
CID 122484532
(E)-N-(2-hydroxyethyl)-N-methylpent-2-enamide
CID 127125524
5-Hydroxy-1,5-dimethylpyrrol-2-one
CID 143018585
1-Ethyl-5-hydroxy-5-methylpyrrol-2-one
CID 164781888
5-Hydroxy-1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrrol-2-one
CID 164781903
1-(2-Hydroxyethyl)-5-methoxy-5-methylpyrrol-2-one
CID 44472014
5-Hydroxy-1-(3-hydroxypropyl)-5-methylpyrrol-2-one
CID 44472128
(2S)-2-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one
CID 102578570

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one?
The IUPAC name of (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one (CID 102578573) is (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one.
What is the SMILES notation for (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one?
The canonical SMILES for (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one is C[C@]1(O)C=CC(=O)N1CCO.
What is the InChIKey of (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one?
The InChIKey is LIGBSCCXFYDPEB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(11)3-2-6(10)8(7)4-5-9/h2-3,9,11H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one?
(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one has a molecular weight of 157.17 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one is sourced from PubChem (CID 102578573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).