disodium;bis(prop-2-enamide);bis(prop-2-enoate)

C12H16N2Na2O6 — CID 173417744

IUPACdisodium;bis(prop-2-enamide);bis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].C=CC(N)=O.C=CC(N)=O.[Na+].[Na+]
InChIInChI=1S/2C3H5NO.2C3H4O2.2Na/c4*1-2-3(4)5;;/h2*2H,1H2,(H2,4,5);2*2H,1H2,(H,4,5);;/q;;;;2*+1/p-2
InChIKeyYJTKOCIADLVENX-UHFFFAOYSA-L
MW330.25 g/mol
LogP-8.83
Rot. Bonds4

About disodium;bis(prop-2-enamide);bis(prop-2-enoate)

disodium;bis(prop-2-enamide);bis(prop-2-enoate) (PubChem CID 173417744) has the molecular formula C12H16N2Na2O6 and a molecular weight of 330.25 g/mol. Its IUPAC name is disodium;bis(prop-2-enamide);bis(prop-2-enoate).

Molecular Properties

Compound Namedisodium;bis(prop-2-enamide);bis(prop-2-enoate)
PubChem CID173417744
Molecular FormulaC12H16N2Na2O6
Molecular Weight330.25 g/mol
Exact Mass330.08
IUPAC Namedisodium;bis(prop-2-enamide);bis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].C=CC(N)=O.C=CC(N)=O.[Na+].[Na+]
InChIInChI=1S/2C3H5NO.2C3H4O2.2Na/c4*1-2-3(4)5;;/h2*2H,1H2,(H2,4,5);2*2H,1H2,(H,4,5);;/q;;;;2*+1/p-2
InChIKeyYJTKOCIADLVENX-UHFFFAOYSA-L
XLogP-8.83
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 5-8.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;bis(prop-2-enamide);bis(prop-2-enoate)?
The IUPAC name of disodium;bis(prop-2-enamide);bis(prop-2-enoate) (CID 173417744) is disodium;bis(prop-2-enamide);bis(prop-2-enoate).
What is the SMILES notation for disodium;bis(prop-2-enamide);bis(prop-2-enoate)?
The canonical SMILES for disodium;bis(prop-2-enamide);bis(prop-2-enoate) is C=CC(=O)[O-].C=CC(=O)[O-].C=CC(N)=O.C=CC(N)=O.[Na+].[Na+].
What is the InChIKey of disodium;bis(prop-2-enamide);bis(prop-2-enoate)?
The InChIKey is YJTKOCIADLVENX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H5NO.2C3H4O2.2Na/c4*1-2-3(4)5;;/h2*2H,1H2,(H2,4,5);2*2H,1H2,(H,4,5);;/q;;;;2*+1/p-2.
What are the key properties of disodium;bis(prop-2-enamide);bis(prop-2-enoate)?
disodium;bis(prop-2-enamide);bis(prop-2-enoate) has a molecular weight of 330.25 g/mol, XLogP of -8.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(prop-2-enamide);bis(prop-2-enoate) is sourced from PubChem (CID 173417744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).