2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde

C8H11NO3 — CID 105434051

IUPAC2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
SMILESO=CCN1OC(C2CC2)CC1=O
InChIInChI=1S/C8H11NO3/c10-4-3-9-8(11)5-7(12-9)6-1-2-6/h4,6-7H,1-3,5H2
InChIKeyRCDFDLLDZZHTMB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.13
Rot. Bonds3

About 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde

2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde (PubChem CID 105434051) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
PubChem CID105434051
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
SMILESO=CCN1OC(C2CC2)CC1=O
InChIInChI=1S/C8H11NO3/c10-4-3-9-8(11)5-7(12-9)6-1-2-6/h4,6-7H,1-3,5H2
InChIKeyRCDFDLLDZZHTMB-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde (CID 105434051) is 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde is O=CCN1OC(C2CC2)CC1=O.
What is the InChIKey of 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The InChIKey is RCDFDLLDZZHTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-4-3-9-8(11)5-7(12-9)6-1-2-6/h4,6-7H,1-3,5H2.
What are the key properties of 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde has a molecular weight of 169.18 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde is sourced from PubChem (CID 105434051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).