(2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one

C8H11NO3 — CID 45086475

IUPAC(2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one
SMILESCCO[C@@H]1C=CC(=O)N1C(C)=O
InChIInChI=1S/C8H11NO3/c1-3-12-8-5-4-7(11)9(8)6(2)10/h4-5,8H,3H2,1-2H3/t8-/m1/s1
InChIKeyDQMQOXVGQIWVPI-MRVPVSSYSA-N
MW169.18 g/mol
LogP0.29
Rot. Bonds2

About (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one

(2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one (PubChem CID 45086475) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one
PubChem CID45086475
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one
SMILESCCO[C@@H]1C=CC(=O)N1C(C)=O
InChIInChI=1S/C8H11NO3/c1-3-12-8-5-4-7(11)9(8)6(2)10/h4-5,8H,3H2,1-2H3/t8-/m1/s1
InChIKeyDQMQOXVGQIWVPI-MRVPVSSYSA-N
XLogP0.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one (CID 45086475) is (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one is CCO[C@@H]1C=CC(=O)N1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one?
The InChIKey is DQMQOXVGQIWVPI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-12-8-5-4-7(11)9(8)6(2)10/h4-5,8H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one?
(2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one has a molecular weight of 169.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-ethoxy-2H-pyrrol-5-one is sourced from PubChem (CID 45086475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).