sodium;ethenamine;hydride;prop-2-enoic acid

C5H10NNaO2 — CID 173340453

IUPACsodium;ethenamine;hydride;prop-2-enoic acid
SMILESC=CC(=O)O.C=CN.[H-].[Na+]
InChIInChI=1S/C3H4O2.C2H5N.Na.H/c1-2-3(4)5;1-2-3;;/h2H,1H2,(H,4,5);2H,1,3H2;;/q;;+1;-1
InChIKeyLJTAHOSWRSRLEV-UHFFFAOYSA-N
MW139.13 g/mol
LogP-2.54
Rot. Bonds1

About sodium;ethenamine;hydride;prop-2-enoic acid

sodium;ethenamine;hydride;prop-2-enoic acid (PubChem CID 173340453) has the molecular formula C5H10NNaO2 and a molecular weight of 139.13 g/mol. Its IUPAC name is sodium;ethenamine;hydride;prop-2-enoic acid.

Molecular Properties

Compound Namesodium;ethenamine;hydride;prop-2-enoic acid
PubChem CID173340453
Molecular FormulaC5H10NNaO2
Molecular Weight139.13 g/mol
Exact Mass139.06
IUPAC Namesodium;ethenamine;hydride;prop-2-enoic acid
SMILESC=CC(=O)O.C=CN.[H-].[Na+]
InChIInChI=1S/C3H4O2.C2H5N.Na.H/c1-2-3(4)5;1-2-3;;/h2H,1H2,(H,4,5);2H,1,3H2;;/q;;+1;-1
InChIKeyLJTAHOSWRSRLEV-UHFFFAOYSA-N
XLogP-2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-2.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173229476
formamide;prop-2-enoic acid
CID 23373282
disodium;buta-1,3-diene;hydride;prop-2-enoic acid
CID 173032762
hydrazine;bis(prop-2-enoic acid)
CID 160974981
tetrasodium;acetic acid;ethenamine;hydride
CID 173162243
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
lutetium;tris(prop-2-enoic acid)
CID 168865611
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054

Frequently Asked Questions

What is the IUPAC name of sodium;ethenamine;hydride;prop-2-enoic acid?
The IUPAC name of sodium;ethenamine;hydride;prop-2-enoic acid (CID 173340453) is sodium;ethenamine;hydride;prop-2-enoic acid.
What is the SMILES notation for sodium;ethenamine;hydride;prop-2-enoic acid?
The canonical SMILES for sodium;ethenamine;hydride;prop-2-enoic acid is C=CC(=O)O.C=CN.[H-].[Na+].
What is the InChIKey of sodium;ethenamine;hydride;prop-2-enoic acid?
The InChIKey is LJTAHOSWRSRLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H5N.Na.H/c1-2-3(4)5;1-2-3;;/h2H,1H2,(H,4,5);2H,1,3H2;;/q;;+1;-1.
What are the key properties of sodium;ethenamine;hydride;prop-2-enoic acid?
sodium;ethenamine;hydride;prop-2-enoic acid has a molecular weight of 139.13 g/mol, XLogP of -2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenamine;hydride;prop-2-enoic acid is sourced from PubChem (CID 173340453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).