3-aminooxolane-2-carbaldehyde

C5H9NO2 — CID 22609762

IUPAC3-aminooxolane-2-carbaldehyde
SMILESNC1CCOC1C=O
InChIInChI=1S/C5H9NO2/c6-4-1-2-8-5(4)3-7/h3-5H,1-2,6H2
InChIKeyZYVAUJMEKWHBCT-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.70
Rot. Bonds1

About 3-aminooxolane-2-carbaldehyde

3-aminooxolane-2-carbaldehyde (PubChem CID 22609762) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-aminooxolane-2-carbaldehyde.

Molecular Properties

Compound Name3-aminooxolane-2-carbaldehyde
PubChem CID22609762
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-aminooxolane-2-carbaldehyde
SMILESNC1CCOC1C=O
InChIInChI=1S/C5H9NO2/c6-4-1-2-8-5(4)3-7/h3-5H,1-2,6H2
InChIKeyZYVAUJMEKWHBCT-UHFFFAOYSA-N
XLogP-0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
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 3-aminooxolane-2-carbaldehyde?
The IUPAC name of 3-aminooxolane-2-carbaldehyde (CID 22609762) is 3-aminooxolane-2-carbaldehyde.
What is the SMILES notation for 3-aminooxolane-2-carbaldehyde?
The canonical SMILES for 3-aminooxolane-2-carbaldehyde is NC1CCOC1C=O.
What is the InChIKey of 3-aminooxolane-2-carbaldehyde?
The InChIKey is ZYVAUJMEKWHBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c6-4-1-2-8-5(4)3-7/h3-5H,1-2,6H2.
What are the key properties of 3-aminooxolane-2-carbaldehyde?
3-aminooxolane-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxolane-2-carbaldehyde is sourced from PubChem (CID 22609762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).