hydroxylamine;methyl 2-methylprop-2-enoate

C5H11NO3 — CID 174509239

IUPAChydroxylamine;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.NO
InChIInChI=1S/C5H8O2.H3NO/c1-4(2)5(6)7-3;1-2/h1H2,2-3H3;2H,1H2
InChIKeyZFFIHKSOVYMBHU-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.07
Rot. Bonds1

About hydroxylamine;methyl 2-methylprop-2-enoate

hydroxylamine;methyl 2-methylprop-2-enoate (PubChem CID 174509239) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is hydroxylamine;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namehydroxylamine;methyl 2-methylprop-2-enoate
PubChem CID174509239
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namehydroxylamine;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.NO
InChIInChI=1S/C5H8O2.H3NO/c1-4(2)5(6)7-3;1-2/h1H2,2-3H3;2H,1H2
InChIKeyZFFIHKSOVYMBHU-UHFFFAOYSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
methyl 2-methylprop-2-enoate;tribromobismuthane
CID 88520030
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;methyl 2-methylprop-2-enoate?
The IUPAC name of hydroxylamine;methyl 2-methylprop-2-enoate (CID 174509239) is hydroxylamine;methyl 2-methylprop-2-enoate.
What is the SMILES notation for hydroxylamine;methyl 2-methylprop-2-enoate?
The canonical SMILES for hydroxylamine;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.NO.
What is the InChIKey of hydroxylamine;methyl 2-methylprop-2-enoate?
The InChIKey is ZFFIHKSOVYMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.H3NO/c1-4(2)5(6)7-3;1-2/h1H2,2-3H3;2H,1H2.
What are the key properties of hydroxylamine;methyl 2-methylprop-2-enoate?
hydroxylamine;methyl 2-methylprop-2-enoate has a molecular weight of 133.15 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 174509239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).