ethenyl N-(2-amino-2-oxoethyl)methanimidate

C5H8N2O2 — CID 88941386

IUPACethenyl N-(2-amino-2-oxoethyl)methanimidate
SMILESC=CO/C=N/CC(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-9-4-7-3-5(6)8/h2,4H,1,3H2,(H2,6,8)/b7-4+
InChIKeyHNUDRSXRTSCWQU-QPJJXVBHSA-N
MW128.13 g/mol
LogP-0.34
Rot. Bonds4

About ethenyl N-(2-amino-2-oxoethyl)methanimidate

ethenyl N-(2-amino-2-oxoethyl)methanimidate (PubChem CID 88941386) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is ethenyl N-(2-amino-2-oxoethyl)methanimidate.

Molecular Properties

Compound Nameethenyl N-(2-amino-2-oxoethyl)methanimidate
PubChem CID88941386
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Nameethenyl N-(2-amino-2-oxoethyl)methanimidate
SMILESC=CO/C=N/CC(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-9-4-7-3-5(6)8/h2,4H,1,3H2,(H2,6,8)/b7-4+
InChIKeyHNUDRSXRTSCWQU-QPJJXVBHSA-N
XLogP-0.34
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

prop-2-enamide;ruthenium
CID 90254548
ethenoxyethene;propyl prop-2-enoate
CID 174744389
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
ethenoxymethyl hydrogen carbonate
CID 118689844
ethenyl prop-2-enoate;urea
CID 146453811
carbamodithioic acid;ethenoxyethene
CID 87921170
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
2-ethenoxyethenyl hydrogen carbonate
CID 154397634
ethenoxyethene;methyl prop-2-enoate
CID 159119515
1,1-bis(2-ethenoxyethyl)urea
CID 154099655
carbamic acid;ethenyl hypofluorite
CID 174867044

Frequently Asked Questions

What is the IUPAC name of ethenyl N-(2-amino-2-oxoethyl)methanimidate?
The IUPAC name of ethenyl N-(2-amino-2-oxoethyl)methanimidate (CID 88941386) is ethenyl N-(2-amino-2-oxoethyl)methanimidate.
What is the SMILES notation for ethenyl N-(2-amino-2-oxoethyl)methanimidate?
The canonical SMILES for ethenyl N-(2-amino-2-oxoethyl)methanimidate is C=CO/C=N/CC(N)=O.
What is the InChIKey of ethenyl N-(2-amino-2-oxoethyl)methanimidate?
The InChIKey is HNUDRSXRTSCWQU-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-9-4-7-3-5(6)8/h2,4H,1,3H2,(H2,6,8)/b7-4+.
What are the key properties of ethenyl N-(2-amino-2-oxoethyl)methanimidate?
ethenyl N-(2-amino-2-oxoethyl)methanimidate has a molecular weight of 128.13 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-(2-amino-2-oxoethyl)methanimidate is sourced from PubChem (CID 88941386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).