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

C10H13NO2 — CID 83828005

IUPAC2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal
SMILESCc1cc(CC(C=O)C2CC2)no1
InChIInChI=1S/C10H13NO2/c1-7-4-10(11-13-7)5-9(6-12)8-2-3-8/h4,6,8-9H,2-3,5H2,1H3
InChIKeyDZVKWDPGTWRMJX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.75
Rot. Bonds4

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

2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal (PubChem CID 83828005) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal.

Molecular Properties

Compound Name2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal
PubChem CID83828005
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal
SMILESCc1cc(CC(C=O)C2CC2)no1
InChIInChI=1S/C10H13NO2/c1-7-4-10(11-13-7)5-9(6-12)8-2-3-8/h4,6,8-9H,2-3,5H2,1H3
InChIKeyDZVKWDPGTWRMJX-UHFFFAOYSA-N
XLogP1.75
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.75
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-3-(5-methyl-1,2-oxazol-3-yl)propanal?
The IUPAC name of 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal (CID 83828005) is 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal.
What is the SMILES notation for 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal?
The canonical SMILES for 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal is Cc1cc(CC(C=O)C2CC2)no1.
What is the InChIKey of 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal?
The InChIKey is DZVKWDPGTWRMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-10(11-13-7)5-9(6-12)8-2-3-8/h4,6,8-9H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal?
2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal has a molecular weight of 179.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal is sourced from PubChem (CID 83828005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).