ethenamine;2-methylprop-2-enoic acid

C6H11NO2 — CID 18702482

IUPACethenamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CN
InChIInChI=1S/C4H6O2.C2H5N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H,5,6);2H,1,3H2
InChIKeyQTAYDLXTZHAZSC-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.74
Rot. Bonds1

About ethenamine;2-methylprop-2-enoic acid

ethenamine;2-methylprop-2-enoic acid (PubChem CID 18702482) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethenamine;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameethenamine;2-methylprop-2-enoic acid
PubChem CID18702482
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethenamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CN
InChIInChI=1S/C4H6O2.C2H5N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H,5,6);2H,1,3H2
InChIKeyQTAYDLXTZHAZSC-UHFFFAOYSA-N
XLogP0.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.74
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

2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
lithium;buta-1,3-diene;hydride;2-methylprop-2-enoic acid
CID 173229660
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133

Frequently Asked Questions

What is the IUPAC name of ethenamine;2-methylprop-2-enoic acid?
The IUPAC name of ethenamine;2-methylprop-2-enoic acid (CID 18702482) is ethenamine;2-methylprop-2-enoic acid.
What is the SMILES notation for ethenamine;2-methylprop-2-enoic acid?
The canonical SMILES for ethenamine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CN.
What is the InChIKey of ethenamine;2-methylprop-2-enoic acid?
The InChIKey is QTAYDLXTZHAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H5N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H,5,6);2H,1,3H2.
What are the key properties of ethenamine;2-methylprop-2-enoic acid?
ethenamine;2-methylprop-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;2-methylprop-2-enoic acid is sourced from PubChem (CID 18702482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).