3-ethoxy-1,2-dihydropyrrol-5-one

C6H9NO2 — CID 15007584

IUPAC3-ethoxy-1,2-dihydropyrrol-5-one
SMILESCCOC1=CC(=O)NC1
InChIInChI=1S/C6H9NO2/c1-2-9-5-3-6(8)7-4-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyDXZGRMCOQCBKRY-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds2

About 3-ethoxy-1,2-dihydropyrrol-5-one

3-ethoxy-1,2-dihydropyrrol-5-one (PubChem CID 15007584) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-ethoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethoxy-1,2-dihydropyrrol-5-one
PubChem CID15007584
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-ethoxy-1,2-dihydropyrrol-5-one
SMILESCCOC1=CC(=O)NC1
InChIInChI=1S/C6H9NO2/c1-2-9-5-3-6(8)7-4-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyDXZGRMCOQCBKRY-UHFFFAOYSA-N
XLogP0.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethoxy-1,2-dihydropyrrol-5-one (CID 15007584) is 3-ethoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethoxy-1,2-dihydropyrrol-5-one is CCOC1=CC(=O)NC1.
What is the InChIKey of 3-ethoxy-1,2-dihydropyrrol-5-one?
The InChIKey is DXZGRMCOQCBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-9-5-3-6(8)7-4-5/h3H,2,4H2,1H3,(H,7,8).
What are the key properties of 3-ethoxy-1,2-dihydropyrrol-5-one?
3-ethoxy-1,2-dihydropyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 15007584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).