[(Z)-but-2-en-2-yl]oxymethanamine

C5H11NO — CID 141115606

IUPAC[(Z)-but-2-en-2-yl]oxymethanamine
SMILESC/C=C(/C)OCN
InChIInChI=1S/C5H11NO/c1-3-5(2)7-4-6/h3H,4,6H2,1-2H3/b5-3-
InChIKeyPWXDIBQRNVGIAF-HYXAFXHYSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds2

About [(Z)-but-2-en-2-yl]oxymethanamine

[(Z)-but-2-en-2-yl]oxymethanamine (PubChem CID 141115606) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl]oxymethanamine.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl]oxymethanamine
PubChem CID141115606
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name[(Z)-but-2-en-2-yl]oxymethanamine
SMILESC/C=C(/C)OCN
InChIInChI=1S/C5H11NO/c1-3-5(2)7-4-6/h3H,4,6H2,1-2H3/b5-3-
InChIKeyPWXDIBQRNVGIAF-HYXAFXHYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

but-2-en-2-yloxymethanamine
CID 54051343
2-ethoxybut-2-ene;silane
CID 174428196
(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
1-[(E)-but-2-en-2-yl]oxy-2-chloro-3-methylbutane
CID 154930139
aminomethyl acetate;dihydrochloride
CID 175752598
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
aminomethyl acetate;hydrate
CID 173252999
bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
CID 171482069
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-en-2-yl]oxymethanamine?
The IUPAC name of [(Z)-but-2-en-2-yl]oxymethanamine (CID 141115606) is [(Z)-but-2-en-2-yl]oxymethanamine.
What is the SMILES notation for [(Z)-but-2-en-2-yl]oxymethanamine?
The canonical SMILES for [(Z)-but-2-en-2-yl]oxymethanamine is C/C=C(/C)OCN.
What is the InChIKey of [(Z)-but-2-en-2-yl]oxymethanamine?
The InChIKey is PWXDIBQRNVGIAF-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)7-4-6/h3H,4,6H2,1-2H3/b5-3-.
What are the key properties of [(Z)-but-2-en-2-yl]oxymethanamine?
[(Z)-but-2-en-2-yl]oxymethanamine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-en-2-yl]oxymethanamine is sourced from PubChem (CID 141115606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).