4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal

C7H9NO4 — CID 10607265

IUPAC4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal
SMILESO=CCCC(=O)N1CCOC1=O
InChIInChI=1S/C7H9NO4/c9-4-1-2-6(10)8-3-5-12-7(8)11/h4H,1-3,5H2
InChIKeyAVWDSUVWIHMBAY-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.06
Rot. Bonds3

About 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal

4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal (PubChem CID 10607265) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal.

Molecular Properties

Compound Name4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal
PubChem CID10607265
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal
SMILESO=CCCC(=O)N1CCOC1=O
InChIInChI=1S/C7H9NO4/c9-4-1-2-6(10)8-3-5-12-7(8)11/h4H,1-3,5H2
InChIKeyAVWDSUVWIHMBAY-UHFFFAOYSA-N
XLogP-0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal?
The IUPAC name of 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal (CID 10607265) is 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal.
What is the SMILES notation for 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal?
The canonical SMILES for 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal is O=CCCC(=O)N1CCOC1=O.
What is the InChIKey of 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal?
The InChIKey is AVWDSUVWIHMBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-4-1-2-6(10)8-3-5-12-7(8)11/h4H,1-3,5H2.
What are the key properties of 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal?
4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal has a molecular weight of 171.15 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanal is sourced from PubChem (CID 10607265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).