disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate

C12H20N2Na2O6 — CID 159964007

IUPACdisodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate
SMILESC=CC(=O)[O-].C=CC(N)=O.CCC(=O)[O-].CCC(N)=O.[Na+].[Na+]
InChIInChI=1S/C3H7NO.C3H5NO.C3H6O2.C3H4O2.2Na/c4*1-2-3(4)5;;/h2H2,1H3,(H2,4,5);2H,1H2,(H2,4,5);2H2,1H3,(H,4,5);2H,1H2,(H,4,5);;/q;;;;2*+1/p-2
InChIKeyODRPWTYPAZSYOF-UHFFFAOYSA-L
MW334.28 g/mol
LogP-8.38
Rot. Bonds4

About disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate

disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate (PubChem CID 159964007) has the molecular formula C12H20N2Na2O6 and a molecular weight of 334.28 g/mol. Its IUPAC name is disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate.

Molecular Properties

Compound Namedisodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate
PubChem CID159964007
Molecular FormulaC12H20N2Na2O6
Molecular Weight334.28 g/mol
Exact Mass334.11
IUPAC Namedisodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate
SMILESC=CC(=O)[O-].C=CC(N)=O.CCC(=O)[O-].CCC(N)=O.[Na+].[Na+]
InChIInChI=1S/C3H7NO.C3H5NO.C3H6O2.C3H4O2.2Na/c4*1-2-3(4)5;;/h2H2,1H3,(H2,4,5);2H,1H2,(H2,4,5);2H2,1H3,(H,4,5);2H,1H2,(H,4,5);;/q;;;;2*+1/p-2
InChIKeyODRPWTYPAZSYOF-UHFFFAOYSA-L
XLogP-8.38
TPSA166.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 5-8.38
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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Related Compounds

disodium;bis(prop-2-enamide);bis(prop-2-enoate)
CID 173417744
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CID 172708986
CID 172708986
trisodium;propanoate
CID 86625665
pentane;prop-2-enamide
CID 139391622
disodium;but-2-enedioate;prop-2-enamide;prop-2-enoic acid
CID 173333490
prop-2-enamide;tetraethylazanium
CID 160757497
acetamide;prop-2-enamide
CID 158566181
methanamine;prop-2-enamide;hydrate
CID 174696935
butan-1-amine;prop-2-enoate
CID 21324935
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265

Frequently Asked Questions

What is the IUPAC name of disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate?
The IUPAC name of disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate (CID 159964007) is disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate.
What is the SMILES notation for disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate?
The canonical SMILES for disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate is C=CC(=O)[O-].C=CC(N)=O.CCC(=O)[O-].CCC(N)=O.[Na+].[Na+].
What is the InChIKey of disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate?
The InChIKey is ODRPWTYPAZSYOF-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7NO.C3H5NO.C3H6O2.C3H4O2.2Na/c4*1-2-3(4)5;;/h2H2,1H3,(H2,4,5);2H,1H2,(H2,4,5);2H2,1H3,(H,4,5);2H,1H2,(H,4,5);;/q;;;;2*+1/p-2.
What are the key properties of disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate?
disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate has a molecular weight of 334.28 g/mol, XLogP of -8.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate is sourced from PubChem (CID 159964007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).