(E)-but-2-enedioic acid;bis(prop-2-enamide)

C10H14N2O6 — CID 174486648

IUPAC(E)-but-2-enedioic acid;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C4H4O4.2C3H5NO/c5-3(6)1-2-4(7)8;2*1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);2*2H,1H2,(H2,4,5)/b2-1+;;
InChIKeyAAACMOGMICRWAM-SEPHDYHBSA-N
MW258.23 g/mol
LogP-0.97
Rot. Bonds4

About (E)-but-2-enedioic acid;bis(prop-2-enamide)

(E)-but-2-enedioic acid;bis(prop-2-enamide) (PubChem CID 174486648) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;bis(prop-2-enamide).

Molecular Properties

Compound Name(E)-but-2-enedioic acid;bis(prop-2-enamide)
PubChem CID174486648
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(E)-but-2-enedioic acid;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C4H4O4.2C3H5NO/c5-3(6)1-2-4(7)8;2*1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);2*2H,1H2,(H2,4,5)/b2-1+;;
InChIKeyAAACMOGMICRWAM-SEPHDYHBSA-N
XLogP-0.97
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid
CID 173333489
4-amino-4-oxobut-2-enoic acid;buta-1,3-diene
CID 173116521
ethene-1,1-diol;prop-2-enamide
CID 174658864
4-amino-4-oxobut-2-enoic acid;azane
CID 173246306
(Z)-4-amino-4-oxobut-2-enoic acid;hydrate
CID 88673032
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
CID 118976628
CID 118976628
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
CID 175078165
benzene;prop-2-enamide;hydrobromide
CID 174943070
disodium;but-2-enedioate;prop-2-enamide;prop-2-enoic acid
CID 173333490
molecular hydrogen;prop-2-enamide
CID 156651584

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;bis(prop-2-enamide)?
The IUPAC name of (E)-but-2-enedioic acid;bis(prop-2-enamide) (CID 174486648) is (E)-but-2-enedioic acid;bis(prop-2-enamide).
What is the SMILES notation for (E)-but-2-enedioic acid;bis(prop-2-enamide)?
The canonical SMILES for (E)-but-2-enedioic acid;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;bis(prop-2-enamide)?
The InChIKey is AAACMOGMICRWAM-SEPHDYHBSA-N. The full InChI is InChI=1S/C4H4O4.2C3H5NO/c5-3(6)1-2-4(7)8;2*1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);2*2H,1H2,(H2,4,5)/b2-1+;;.
What are the key properties of (E)-but-2-enedioic acid;bis(prop-2-enamide)?
(E)-but-2-enedioic acid;bis(prop-2-enamide) has a molecular weight of 258.23 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;bis(prop-2-enamide) is sourced from PubChem (CID 174486648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).