3-propan-2-yloxy-1,2-dihydropyrrol-5-one

C7H11NO2 — CID 19982679

IUPAC3-propan-2-yloxy-1,2-dihydropyrrol-5-one
SMILESCC(C)OC1=CC(=O)NC1
InChIInChI=1S/C7H11NO2/c1-5(2)10-6-3-7(9)8-4-6/h3,5H,4H2,1-2H3,(H,8,9)
InChIKeyBTXQJKHZBGHBPG-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds2

About 3-propan-2-yloxy-1,2-dihydropyrrol-5-one

3-propan-2-yloxy-1,2-dihydropyrrol-5-one (PubChem CID 19982679) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-propan-2-yloxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-propan-2-yloxy-1,2-dihydropyrrol-5-one
PubChem CID19982679
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-propan-2-yloxy-1,2-dihydropyrrol-5-one
SMILESCC(C)OC1=CC(=O)NC1
InChIInChI=1S/C7H11NO2/c1-5(2)10-6-3-7(9)8-4-6/h3,5H,4H2,1-2H3,(H,8,9)
InChIKeyBTXQJKHZBGHBPG-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-propan-2-yloxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-propan-2-yloxy-1,2-dihydropyrrol-5-one (CID 19982679) is 3-propan-2-yloxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-propan-2-yloxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-propan-2-yloxy-1,2-dihydropyrrol-5-one is CC(C)OC1=CC(=O)NC1.
What is the InChIKey of 3-propan-2-yloxy-1,2-dihydropyrrol-5-one?
The InChIKey is BTXQJKHZBGHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)10-6-3-7(9)8-4-6/h3,5H,4H2,1-2H3,(H,8,9).
What are the key properties of 3-propan-2-yloxy-1,2-dihydropyrrol-5-one?
3-propan-2-yloxy-1,2-dihydropyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).