2-methylazetidine-1-carbaldehyde

C5H9NO — CID 145255275

IUPAC2-methylazetidine-1-carbaldehyde
SMILESCC1CCN1C=O
InChIInChI=1S/C5H9NO/c1-5-2-3-6(5)4-7/h4-5H,2-3H2,1H3
InChIKeyFODUZCYQPQMDRI-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.24
Rot. Bonds1

About 2-methylazetidine-1-carbaldehyde

2-methylazetidine-1-carbaldehyde (PubChem CID 145255275) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methylazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methylazetidine-1-carbaldehyde
PubChem CID145255275
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methylazetidine-1-carbaldehyde
SMILESCC1CCN1C=O
InChIInChI=1S/C5H9NO/c1-5-2-3-6(5)4-7/h4-5H,2-3H2,1H3
InChIKeyFODUZCYQPQMDRI-UHFFFAOYSA-N
XLogP0.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methylazetidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine-1-carbaldehyde?
The IUPAC name of 2-methylazetidine-1-carbaldehyde (CID 145255275) is 2-methylazetidine-1-carbaldehyde.
What is the SMILES notation for 2-methylazetidine-1-carbaldehyde?
The canonical SMILES for 2-methylazetidine-1-carbaldehyde is CC1CCN1C=O.
What is the InChIKey of 2-methylazetidine-1-carbaldehyde?
The InChIKey is FODUZCYQPQMDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5-2-3-6(5)4-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-methylazetidine-1-carbaldehyde?
2-methylazetidine-1-carbaldehyde has a molecular weight of 99.13 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazetidine-1-carbaldehyde is sourced from PubChem (CID 145255275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).