CID 159432817

C4H9NNaO2 — CID 159432817

IUPAC—
SMILESC=C(C)C(=O)[O-].[NH4+].[Na]
InChIInChI=1S/C4H6O2.H3N.Na/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H3;
InChIKeyLREUOMZUDPLEKQ-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.69
Rot. Bonds1

About CID 159432817

CID 159432817 (PubChem CID 159432817) has the molecular formula C4H9NNaO2 and a molecular weight of 126.11 g/mol.

Molecular Properties

Compound NameCID 159432817
PubChem CID159432817
Molecular FormulaC4H9NNaO2
Molecular Weight126.11 g/mol
Exact Mass126.05
IUPAC Name—
SMILESC=C(C)C(=O)[O-].[NH4+].[Na]
InChIInChI=1S/C4H6O2.H3N.Na/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H3;
InChIKeyLREUOMZUDPLEKQ-UHFFFAOYSA-N
XLogP-0.69
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
sodium;ethene;2-methylprop-2-enoate
CID 23688925
calcium;2-methylprop-2-enoate;chloride
CID 174912380
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
2-methylprop-2-enoate;trifluoromethane
CID 158491697
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of CID 159432817?
The IUPAC name of CID 159432817 (CID 159432817) is not available.
What is the SMILES notation for CID 159432817?
The canonical SMILES for CID 159432817 is C=C(C)C(=O)[O-].[NH4+].[Na].
What is the InChIKey of CID 159432817?
The InChIKey is LREUOMZUDPLEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.H3N.Na/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H3;.
What are the key properties of CID 159432817?
CID 159432817 has a molecular weight of 126.11 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159432817 is sourced from PubChem (CID 159432817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).