3-imidazolidin-2-ylpropanal

C6H12N2O — CID 54023635

IUPAC3-imidazolidin-2-ylpropanal
SMILESO=CCCC1NCCN1
InChIInChI=1S/C6H12N2O/c9-5-1-2-6-7-3-4-8-6/h5-8H,1-4H2
InChIKeyIKGNCFMHKYEFFF-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds3

About 3-imidazolidin-2-ylpropanal

3-imidazolidin-2-ylpropanal (PubChem CID 54023635) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-imidazolidin-2-ylpropanal.

Molecular Properties

Compound Name3-imidazolidin-2-ylpropanal
PubChem CID54023635
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-imidazolidin-2-ylpropanal
SMILESO=CCCC1NCCN1
InChIInChI=1S/C6H12N2O/c9-5-1-2-6-7-3-4-8-6/h5-8H,1-4H2
InChIKeyIKGNCFMHKYEFFF-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
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 3-imidazolidin-2-ylpropanal?
The IUPAC name of 3-imidazolidin-2-ylpropanal (CID 54023635) is 3-imidazolidin-2-ylpropanal.
What is the SMILES notation for 3-imidazolidin-2-ylpropanal?
The canonical SMILES for 3-imidazolidin-2-ylpropanal is O=CCCC1NCCN1.
What is the InChIKey of 3-imidazolidin-2-ylpropanal?
The InChIKey is IKGNCFMHKYEFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-5-1-2-6-7-3-4-8-6/h5-8H,1-4H2.
What are the key properties of 3-imidazolidin-2-ylpropanal?
3-imidazolidin-2-ylpropanal has a molecular weight of 128.18 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazolidin-2-ylpropanal is sourced from PubChem (CID 54023635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).