2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde

C9H11NO2 — CID 83826800

IUPAC2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde
SMILESCc1cc(C(C=O)C2CC2)no1
InChIInChI=1S/C9H11NO2/c1-6-4-9(10-12-6)8(5-11)7-2-3-7/h4-5,7-8H,2-3H2,1H3
InChIKeyHYTGIJJZZOXVHZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.68
Rot. Bonds3

About 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde

2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde (PubChem CID 83826800) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde
PubChem CID83826800
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde
SMILESCc1cc(C(C=O)C2CC2)no1
InChIInChI=1S/C9H11NO2/c1-6-4-9(10-12-6)8(5-11)7-2-3-7/h4-5,7-8H,2-3H2,1H3
InChIKeyHYTGIJJZZOXVHZ-UHFFFAOYSA-N
XLogP1.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.68
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-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde?
The IUPAC name of 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde (CID 83826800) is 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde?
The canonical SMILES for 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde is Cc1cc(C(C=O)C2CC2)no1.
What is the InChIKey of 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde?
The InChIKey is HYTGIJJZZOXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-9(10-12-6)8(5-11)7-2-3-7/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde?
2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)acetaldehyde is sourced from PubChem (CID 83826800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).