N-ethylhydroxylamine;2-methylprop-2-enoic acid

C6H13NO3 — CID 87092788

IUPACN-ethylhydroxylamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNO
InChIInChI=1S/C4H6O2.C2H7NO/c1-3(2)4(5)6;1-2-3-4/h1H2,2H3,(H,5,6);3-4H,2H2,1H3
InChIKeyFJEVUZDIHODXON-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.63
Rot. Bonds2

About N-ethylhydroxylamine;2-methylprop-2-enoic acid

N-ethylhydroxylamine;2-methylprop-2-enoic acid (PubChem CID 87092788) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-ethylhydroxylamine;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN-ethylhydroxylamine;2-methylprop-2-enoic acid
PubChem CID87092788
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-ethylhydroxylamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNO
InChIInChI=1S/C4H6O2.C2H7NO/c1-3(2)4(5)6;1-2-3-4/h1H2,2H3,(H,5,6);3-4H,2H2,1H3
InChIKeyFJEVUZDIHODXON-UHFFFAOYSA-N
XLogP0.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylhydroxylamine;2-methylprop-2-enoic acid?
The IUPAC name of N-ethylhydroxylamine;2-methylprop-2-enoic acid (CID 87092788) is N-ethylhydroxylamine;2-methylprop-2-enoic acid.
What is the SMILES notation for N-ethylhydroxylamine;2-methylprop-2-enoic acid?
The canonical SMILES for N-ethylhydroxylamine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCNO.
What is the InChIKey of N-ethylhydroxylamine;2-methylprop-2-enoic acid?
The InChIKey is FJEVUZDIHODXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H7NO/c1-3(2)4(5)6;1-2-3-4/h1H2,2H3,(H,5,6);3-4H,2H2,1H3.
What are the key properties of N-ethylhydroxylamine;2-methylprop-2-enoic acid?
N-ethylhydroxylamine;2-methylprop-2-enoic acid has a molecular weight of 147.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhydroxylamine;2-methylprop-2-enoic acid is sourced from PubChem (CID 87092788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).