2-(2-oxopyrrolidin-1-yl)propanal

C7H11NO2 — CID 57174246

IUPAC2-(2-oxopyrrolidin-1-yl)propanal
SMILESCC(C=O)N1CCCC1=O
InChIInChI=1S/C7H11NO2/c1-6(5-9)8-4-2-3-7(8)10/h5-6H,2-4H2,1H3
InChIKeyXWKVQLBQTYGLCL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds2

About 2-(2-oxopyrrolidin-1-yl)propanal

2-(2-oxopyrrolidin-1-yl)propanal (PubChem CID 57174246) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)propanal.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)propanal
PubChem CID57174246
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(2-oxopyrrolidin-1-yl)propanal
SMILESCC(C=O)N1CCCC1=O
InChIInChI=1S/C7H11NO2/c1-6(5-9)8-4-2-3-7(8)10/h5-6H,2-4H2,1H3
InChIKeyXWKVQLBQTYGLCL-UHFFFAOYSA-N
XLogP0.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)propanal?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)propanal (CID 57174246) is 2-(2-oxopyrrolidin-1-yl)propanal.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)propanal?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)propanal is CC(C=O)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)propanal?
The InChIKey is XWKVQLBQTYGLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(5-9)8-4-2-3-7(8)10/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)propanal?
2-(2-oxopyrrolidin-1-yl)propanal has a molecular weight of 141.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)propanal is sourced from PubChem (CID 57174246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).