3-(2-oxo-3-phenylimidazolidin-1-yl)propanal

C12H14N2O2 — CID 84786113

IUPAC3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
SMILESO=CCCN1CCN(c2ccccc2)C1=O
InChIInChI=1S/C12H14N2O2/c15-10-4-7-13-8-9-14(12(13)16)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2
InChIKeyKOJZMSYQPGDKPT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.52
Rot. Bonds4

About 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal

3-(2-oxo-3-phenylimidazolidin-1-yl)propanal (PubChem CID 84786113) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal.

Molecular Properties

Compound Name3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
PubChem CID84786113
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
SMILESO=CCCN1CCN(c2ccccc2)C1=O
InChIInChI=1S/C12H14N2O2/c15-10-4-7-13-8-9-14(12(13)16)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2
InChIKeyKOJZMSYQPGDKPT-UHFFFAOYSA-N
XLogP1.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.52
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-(2-oxo-3-phenylimidazolidin-1-yl)propanal?
The IUPAC name of 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal (CID 84786113) is 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal.
What is the SMILES notation for 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal?
The canonical SMILES for 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal is O=CCCN1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal?
The InChIKey is KOJZMSYQPGDKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-10-4-7-13-8-9-14(12(13)16)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2.
What are the key properties of 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal?
3-(2-oxo-3-phenylimidazolidin-1-yl)propanal has a molecular weight of 218.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-phenylimidazolidin-1-yl)propanal is sourced from PubChem (CID 84786113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).