2-imidazolidin-2-ylbutanal

C7H14N2O — CID 173272147

IUPAC2-imidazolidin-2-ylbutanal
SMILESCCC(C=O)C1NCCN1
InChIInChI=1S/C7H14N2O/c1-2-6(5-10)7-8-3-4-9-7/h5-9H,2-4H2,1H3
InChIKeyKMILQVCJKBZURL-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.27
Rot. Bonds3

About 2-imidazolidin-2-ylbutanal

2-imidazolidin-2-ylbutanal (PubChem CID 173272147) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-imidazolidin-2-ylbutanal.

Molecular Properties

Compound Name2-imidazolidin-2-ylbutanal
PubChem CID173272147
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-imidazolidin-2-ylbutanal
SMILESCCC(C=O)C1NCCN1
InChIInChI=1S/C7H14N2O/c1-2-6(5-10)7-8-3-4-9-7/h5-9H,2-4H2,1H3
InChIKeyKMILQVCJKBZURL-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-imidazolidin-2-ylbutanal 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-imidazolidin-2-ylbutanal?
The IUPAC name of 2-imidazolidin-2-ylbutanal (CID 173272147) is 2-imidazolidin-2-ylbutanal.
What is the SMILES notation for 2-imidazolidin-2-ylbutanal?
The canonical SMILES for 2-imidazolidin-2-ylbutanal is CCC(C=O)C1NCCN1.
What is the InChIKey of 2-imidazolidin-2-ylbutanal?
The InChIKey is KMILQVCJKBZURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-6(5-10)7-8-3-4-9-7/h5-9H,2-4H2,1H3.
What are the key properties of 2-imidazolidin-2-ylbutanal?
2-imidazolidin-2-ylbutanal has a molecular weight of 142.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-2-ylbutanal is sourced from PubChem (CID 173272147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).