ethanimine;2-methylprop-2-enoic acid

C6H11NO2 — CID 175333202

IUPACethanimine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.[H]/N=C/C
InChIInChI=1S/C4H6O2.C2H5N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H,5,6);2-3H,1H3/b;3-2+
InChIKeyGAVXFLCVGNXMAC-ZPYUXNTASA-N
MW129.16 g/mol
LogP1.30
Rot. Bonds1

About ethanimine;2-methylprop-2-enoic acid

ethanimine;2-methylprop-2-enoic acid (PubChem CID 175333202) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethanimine;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameethanimine;2-methylprop-2-enoic acid
PubChem CID175333202
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethanimine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.[H]/N=C/C
InChIInChI=1S/C4H6O2.C2H5N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H,5,6);2-3H,1H3/b;3-2+
InChIKeyGAVXFLCVGNXMAC-ZPYUXNTASA-N
XLogP1.30
TPSA61.15 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanimine;2-methylprop-2-enoic acid?
The IUPAC name of ethanimine;2-methylprop-2-enoic acid (CID 175333202) is ethanimine;2-methylprop-2-enoic acid.
What is the SMILES notation for ethanimine;2-methylprop-2-enoic acid?
The canonical SMILES for ethanimine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.[H]/N=C/C.
What is the InChIKey of ethanimine;2-methylprop-2-enoic acid?
The InChIKey is GAVXFLCVGNXMAC-ZPYUXNTASA-N. The full InChI is InChI=1S/C4H6O2.C2H5N/c1-3(2)4(5)6;1-2-3/h1H2,2H3,(H,5,6);2-3H,1H3/b;3-2+.
What are the key properties of ethanimine;2-methylprop-2-enoic acid?
ethanimine;2-methylprop-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimine;2-methylprop-2-enoic acid is sourced from PubChem (CID 175333202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).