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

C7H11NO2 — CID 19982613

IUPAC3-propoxy-1,2-dihydropyrrol-5-one
SMILESCCCOC1=CC(=O)NC1
InChIInChI=1S/C7H11NO2/c1-2-3-10-6-4-7(9)8-5-6/h4H,2-3,5H2,1H3,(H,8,9)
InChIKeyNROOGCXNKXPLOJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds3

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

3-propoxy-1,2-dihydropyrrol-5-one (PubChem CID 19982613) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-propoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-propoxy-1,2-dihydropyrrol-5-one
PubChem CID19982613
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-propoxy-1,2-dihydropyrrol-5-one
SMILESCCCOC1=CC(=O)NC1
InChIInChI=1S/C7H11NO2/c1-2-3-10-6-4-7(9)8-5-6/h4H,2-3,5H2,1H3,(H,8,9)
InChIKeyNROOGCXNKXPLOJ-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-propoxy-1,2-dihydropyrrol-5-one (CID 19982613) is 3-propoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-propoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-propoxy-1,2-dihydropyrrol-5-one is CCCOC1=CC(=O)NC1.
What is the InChIKey of 3-propoxy-1,2-dihydropyrrol-5-one?
The InChIKey is NROOGCXNKXPLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-10-6-4-7(9)8-5-6/h4H,2-3,5H2,1H3,(H,8,9).
What are the key properties of 3-propoxy-1,2-dihydropyrrol-5-one?
3-propoxy-1,2-dihydropyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).