azetidine-3-carbaldehyde;methanol

C5H11NO2 — CID 142529753

IUPACazetidine-3-carbaldehyde;methanol
SMILESCO.O=CC1CNC1
InChIInChI=1S/C4H7NO.CH4O/c6-3-4-1-5-2-4;1-2/h3-5H,1-2H2;2H,1H3
InChIKeyPXAHTCVQYHSHAC-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.99
Rot. Bonds1

About azetidine-3-carbaldehyde;methanol

azetidine-3-carbaldehyde;methanol (PubChem CID 142529753) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is azetidine-3-carbaldehyde;methanol.

Molecular Properties

Compound Nameazetidine-3-carbaldehyde;methanol
PubChem CID142529753
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameazetidine-3-carbaldehyde;methanol
SMILESCO.O=CC1CNC1
InChIInChI=1S/C4H7NO.CH4O/c6-3-4-1-5-2-4;1-2/h3-5H,1-2H2;2H,1H3
InChIKeyPXAHTCVQYHSHAC-UHFFFAOYSA-N
XLogP-0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
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 azetidine-3-carbaldehyde;methanol?
The IUPAC name of azetidine-3-carbaldehyde;methanol (CID 142529753) is azetidine-3-carbaldehyde;methanol.
What is the SMILES notation for azetidine-3-carbaldehyde;methanol?
The canonical SMILES for azetidine-3-carbaldehyde;methanol is CO.O=CC1CNC1.
What is the InChIKey of azetidine-3-carbaldehyde;methanol?
The InChIKey is PXAHTCVQYHSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH4O/c6-3-4-1-5-2-4;1-2/h3-5H,1-2H2;2H,1H3.
What are the key properties of azetidine-3-carbaldehyde;methanol?
azetidine-3-carbaldehyde;methanol has a molecular weight of 117.15 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-carbaldehyde;methanol is sourced from PubChem (CID 142529753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).