(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one

C6H9NO2 — CID 138579820

IUPAC(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC[C@H]1NC(=O)C=C1O
InChIInChI=1S/C6H9NO2/c1-2-4-5(8)3-6(9)7-4/h3-4,8H,2H2,1H3,(H,7,9)/t4-/m1/s1
InChIKeyZASGEIKRRSCWDK-SCSAIBSYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds1

About (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one

(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 138579820) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID138579820
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC[C@H]1NC(=O)C=C1O
InChIInChI=1S/C6H9NO2/c1-2-4-5(8)3-6(9)7-4/h3-4,8H,2H2,1H3,(H,7,9)/t4-/m1/s1
InChIKeyZASGEIKRRSCWDK-SCSAIBSYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one (CID 138579820) is (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one is CC[C@H]1NC(=O)C=C1O.
What is the InChIKey of (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is ZASGEIKRRSCWDK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-4-5(8)3-6(9)7-4/h3-4,8H,2H2,1H3,(H,7,9)/t4-/m1/s1.
What are the key properties of (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one?
(2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 138579820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).