disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid

C10H15NNa2O7 — CID 173333489

IUPACdisodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(N)=O.O=C(O)C=CC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H4O4.C3H5NO.C3H4O2.2Na.2H/c5-3(6)1-2-4(7)8;2*1-2-3(4)5;;;;/h1-2H,(H,5,6)(H,7,8);2H,1H2,(H2,4,5);2H,1H2,(H,4,5);;;;/q;;;2*+1;2*-1
InChIKeyQIPKTLBQQRQMEE-UHFFFAOYSA-N
MW307.21 g/mol
LogP-6.14
Rot. Bonds4

About disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid

disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid (PubChem CID 173333489) has the molecular formula C10H15NNa2O7 and a molecular weight of 307.21 g/mol. Its IUPAC name is disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound Namedisodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid
PubChem CID173333489
Molecular FormulaC10H15NNa2O7
Molecular Weight307.21 g/mol
Exact Mass307.06
IUPAC Namedisodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(N)=O.O=C(O)C=CC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H4O4.C3H5NO.C3H4O2.2Na.2H/c5-3(6)1-2-4(7)8;2*1-2-3(4)5;;;;/h1-2H,(H,5,6)(H,7,8);2H,1H2,(H2,4,5);2H,1H2,(H,4,5);;;;/q;;;2*+1;2*-1
InChIKeyQIPKTLBQQRQMEE-UHFFFAOYSA-N
XLogP-6.14
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 5-6.14
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

(E)-but-2-enedioic acid;bis(prop-2-enamide)
CID 174486648
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
CID 175078165
disodium;but-2-enedioate;prop-2-enamide;prop-2-enoic acid
CID 173333490
4-amino-4-oxobut-2-enoic acid;buta-1,3-diene
CID 173116521
sodium;ethenamine;hydride;prop-2-enoic acid
CID 173340453
2-aminoprop-2-enamide;prop-2-enoic acid
CID 173105989
N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 174906754
sodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173229476
ethene-1,1-diol;prop-2-enamide
CID 174658864
disodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173032762
carbamic acid;prop-2-enoic acid;hydrate
CID 174529556
4-amino-4-oxobut-2-enoic acid;azane
CID 173246306

Frequently Asked Questions

What is the IUPAC name of disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid?
The IUPAC name of disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid (CID 173333489) is disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid.
What is the SMILES notation for disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid?
The canonical SMILES for disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid is C=CC(=O)O.C=CC(N)=O.O=C(O)C=CC(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid?
The InChIKey is QIPKTLBQQRQMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4.C3H5NO.C3H4O2.2Na.2H/c5-3(6)1-2-4(7)8;2*1-2-3(4)5;;;;/h1-2H,(H,5,6)(H,7,8);2H,1H2,(H2,4,5);2H,1H2,(H,4,5);;;;/q;;;2*+1;2*-1.
What are the key properties of disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid?
disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid has a molecular weight of 307.21 g/mol, XLogP of -6.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 173333489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).