1-pyrrol-1-ylpropan-1-one

C7H9NO — CID 11564473

IUPAC1-pyrrol-1-ylpropan-1-one
SMILESCCC(=O)n1cccc1
InChIInChI=1S/C7H9NO/c1-2-7(9)8-5-3-4-6-8/h3-6H,2H2,1H3
InChIKeyLPPDMYXDYJNNON-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.54
Rot. Bonds1

About 1-pyrrol-1-ylpropan-1-one

1-pyrrol-1-ylpropan-1-one (PubChem CID 11564473) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-pyrrol-1-ylpropan-1-one
PubChem CID11564473
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-pyrrol-1-ylpropan-1-one
SMILESCCC(=O)n1cccc1
InChIInChI=1S/C7H9NO/c1-2-7(9)8-5-3-4-6-8/h3-6H,2H2,1H3
InChIKeyLPPDMYXDYJNNON-UHFFFAOYSA-N
XLogP1.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-pyrrol-1-ylpropan-1-one (CID 11564473) is 1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-pyrrol-1-ylpropan-1-one is CCC(=O)n1cccc1.
What is the InChIKey of 1-pyrrol-1-ylpropan-1-one?
The InChIKey is LPPDMYXDYJNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-7(9)8-5-3-4-6-8/h3-6H,2H2,1H3.
What are the key properties of 1-pyrrol-1-ylpropan-1-one?
1-pyrrol-1-ylpropan-1-one has a molecular weight of 123.15 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 11564473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).