3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal

C11H18N2O2 — CID 84781306

IUPAC3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
SMILESO=CCCN1CCCN(C2CCC2)C1=O
InChIInChI=1S/C11H18N2O2/c14-9-3-7-12-6-2-8-13(11(12)15)10-4-1-5-10/h9-10H,1-8H2
InChIKeyAWHYOZVGXZXQRF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.26
Rot. Bonds4

About 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal

3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal (PubChem CID 84781306) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal.

Molecular Properties

Compound Name3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
PubChem CID84781306
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
SMILESO=CCCN1CCCN(C2CCC2)C1=O
InChIInChI=1S/C11H18N2O2/c14-9-3-7-12-6-2-8-13(11(12)15)10-4-1-5-10/h9-10H,1-8H2
InChIKeyAWHYOZVGXZXQRF-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal 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 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal?
The IUPAC name of 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal (CID 84781306) is 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal.
What is the SMILES notation for 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal?
The canonical SMILES for 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal is O=CCCN1CCCN(C2CCC2)C1=O.
What is the InChIKey of 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal?
The InChIKey is AWHYOZVGXZXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-9-3-7-12-6-2-8-13(11(12)15)10-4-1-5-10/h9-10H,1-8H2.
What are the key properties of 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal?
3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal has a molecular weight of 210.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal is sourced from PubChem (CID 84781306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).