3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde

C9H15NO2 — CID 20592369

IUPAC3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde
SMILESCC(C)C(=O)N1CC(C)(C=O)C1
InChIInChI=1S/C9H15NO2/c1-7(2)8(12)10-4-9(3,5-10)6-11/h6-7H,4-5H2,1-3H3
InChIKeyCOMXCFPBUPCBHT-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds2

About 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde

3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde (PubChem CID 20592369) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde
PubChem CID20592369
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde
SMILESCC(C)C(=O)N1CC(C)(C=O)C1
InChIInChI=1S/C9H15NO2/c1-7(2)8(12)10-4-9(3,5-10)6-11/h6-7H,4-5H2,1-3H3
InChIKeyCOMXCFPBUPCBHT-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde?
The IUPAC name of 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde (CID 20592369) is 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde.
What is the SMILES notation for 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde?
The canonical SMILES for 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde is CC(C)C(=O)N1CC(C)(C=O)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde?
The InChIKey is COMXCFPBUPCBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)8(12)10-4-9(3,5-10)6-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde?
3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde has a molecular weight of 169.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde is sourced from PubChem (CID 20592369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).