2-(2-oxopyrrolidin-1-yl)acetaldehyde

C6H9NO2 — CID 22405515

IUPAC2-(2-oxopyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC1=O
InChIInChI=1S/C6H9NO2/c8-5-4-7-3-1-2-6(7)9/h5H,1-4H2
InChIKeyACXTWBMTKJWKOW-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.19
Rot. Bonds2

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

2-(2-oxopyrrolidin-1-yl)acetaldehyde (PubChem CID 22405515) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)acetaldehyde
PubChem CID22405515
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-(2-oxopyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC1=O
InChIInChI=1S/C6H9NO2/c8-5-4-7-3-1-2-6(7)9/h5H,1-4H2
InChIKeyACXTWBMTKJWKOW-UHFFFAOYSA-N
XLogP-0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.19
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)acetaldehyde?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)acetaldehyde (CID 22405515) is 2-(2-oxopyrrolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)acetaldehyde is O=CCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)acetaldehyde?
The InChIKey is ACXTWBMTKJWKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-4-7-3-1-2-6(7)9/h5H,1-4H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)acetaldehyde?
2-(2-oxopyrrolidin-1-yl)acetaldehyde has a molecular weight of 127.14 g/mol, XLogP of -0.19, 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)acetaldehyde is sourced from PubChem (CID 22405515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).