1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one

C7H11NO — CID 57268905

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one
SMILESCCC(=O)C1C=CCN1
InChIInChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h3-4,6,8H,2,5H2,1H3
InChIKeyTZBINTSOTGDACP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds2

About 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one

1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one (PubChem CID 57268905) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one
PubChem CID57268905
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one
SMILESCCC(=O)C1C=CCN1
InChIInChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h3-4,6,8H,2,5H2,1H3
InChIKeyTZBINTSOTGDACP-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one (CID 57268905) is 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one is CCC(=O)C1C=CCN1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is TZBINTSOTGDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 57268905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).