oxaldehyde;bis(prop-2-enamide);toluene

C15H20N2O4 — CID 158689707

IUPACoxaldehyde;bis(prop-2-enamide);toluene
SMILESC=CC(N)=O.C=CC(N)=O.Cc1ccccc1.O=CC=O
InChIInChI=1S/C7H8.2C3H5NO.C2H2O2/c1-7-5-3-2-4-6-7;2*1-2-3(4)5;3-1-2-4/h2-6H,1H3;2*2H,1H2,(H2,4,5);1-2H
InChIKeyIGEOWQZUGRNYOE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.69
Rot. Bonds3

About oxaldehyde;bis(prop-2-enamide);toluene

oxaldehyde;bis(prop-2-enamide);toluene (PubChem CID 158689707) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is oxaldehyde;bis(prop-2-enamide);toluene.

Molecular Properties

Compound Nameoxaldehyde;bis(prop-2-enamide);toluene
PubChem CID158689707
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameoxaldehyde;bis(prop-2-enamide);toluene
SMILESC=CC(N)=O.C=CC(N)=O.Cc1ccccc1.O=CC=O
InChIInChI=1S/C7H8.2C3H5NO.C2H2O2/c1-7-5-3-2-4-6-7;2*1-2-3(4)5;3-1-2-4/h2-6H,1H3;2*2H,1H2,(H2,4,5);1-2H
InChIKeyIGEOWQZUGRNYOE-UHFFFAOYSA-N
XLogP0.69
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of oxaldehyde;bis(prop-2-enamide);toluene?
The IUPAC name of oxaldehyde;bis(prop-2-enamide);toluene (CID 158689707) is oxaldehyde;bis(prop-2-enamide);toluene.
What is the SMILES notation for oxaldehyde;bis(prop-2-enamide);toluene?
The canonical SMILES for oxaldehyde;bis(prop-2-enamide);toluene is C=CC(N)=O.C=CC(N)=O.Cc1ccccc1.O=CC=O.
What is the InChIKey of oxaldehyde;bis(prop-2-enamide);toluene?
The InChIKey is IGEOWQZUGRNYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C3H5NO.C2H2O2/c1-7-5-3-2-4-6-7;2*1-2-3(4)5;3-1-2-4/h2-6H,1H3;2*2H,1H2,(H2,4,5);1-2H.
What are the key properties of oxaldehyde;bis(prop-2-enamide);toluene?
oxaldehyde;bis(prop-2-enamide);toluene has a molecular weight of 292.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;bis(prop-2-enamide);toluene is sourced from PubChem (CID 158689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).