2-(propan-2-ylideneamino)oxypropanal

C6H11NO2 — CID 89487269

IUPAC2-(propan-2-ylideneamino)oxypropanal
SMILESCC(C)=NOC(C)C=O
InChIInChI=1S/C6H11NO2/c1-5(2)7-9-6(3)4-8/h4,6H,1-3H3
InChIKeyRNNFMWKZFRKZRX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.99
Rot. Bonds3

About 2-(propan-2-ylideneamino)oxypropanal

2-(propan-2-ylideneamino)oxypropanal (PubChem CID 89487269) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)oxypropanal.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)oxypropanal
PubChem CID89487269
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(propan-2-ylideneamino)oxypropanal
SMILESCC(C)=NOC(C)C=O
InChIInChI=1S/C6H11NO2/c1-5(2)7-9-6(3)4-8/h4,6H,1-3H3
InChIKeyRNNFMWKZFRKZRX-UHFFFAOYSA-N
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)oxypropanal?
The IUPAC name of 2-(propan-2-ylideneamino)oxypropanal (CID 89487269) is 2-(propan-2-ylideneamino)oxypropanal.
What is the SMILES notation for 2-(propan-2-ylideneamino)oxypropanal?
The canonical SMILES for 2-(propan-2-ylideneamino)oxypropanal is CC(C)=NOC(C)C=O.
What is the InChIKey of 2-(propan-2-ylideneamino)oxypropanal?
The InChIKey is RNNFMWKZFRKZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)7-9-6(3)4-8/h4,6H,1-3H3.
What are the key properties of 2-(propan-2-ylideneamino)oxypropanal?
2-(propan-2-ylideneamino)oxypropanal has a molecular weight of 129.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)oxypropanal is sourced from PubChem (CID 89487269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).