ethenyl 2-(prop-2-enoylamino)ethyl carbonate

C8H11NO4 — CID 146262036

IUPACethenyl 2-(prop-2-enoylamino)ethyl carbonate
SMILESC=COC(=O)OCCNC(=O)C=C
InChIInChI=1S/C8H11NO4/c1-3-7(10)9-5-6-13-8(11)12-4-2/h3-4H,1-2,5-6H2,(H,9,10)
InChIKeyNCKHDIVIJUJMBA-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.59
Rot. Bonds5

About ethenyl 2-(prop-2-enoylamino)ethyl carbonate

ethenyl 2-(prop-2-enoylamino)ethyl carbonate (PubChem CID 146262036) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethenyl 2-(prop-2-enoylamino)ethyl carbonate.

Molecular Properties

Compound Nameethenyl 2-(prop-2-enoylamino)ethyl carbonate
PubChem CID146262036
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethenyl 2-(prop-2-enoylamino)ethyl carbonate
SMILESC=COC(=O)OCCNC(=O)C=C
InChIInChI=1S/C8H11NO4/c1-3-7(10)9-5-6-13-8(11)12-4-2/h3-4H,1-2,5-6H2,(H,9,10)
InChIKeyNCKHDIVIJUJMBA-UHFFFAOYSA-N
XLogP0.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
CID 167093318
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
2-acetamidoethyl prop-2-enoate
CID 23089005
ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate
CID 174958071

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(prop-2-enoylamino)ethyl carbonate?
The IUPAC name of ethenyl 2-(prop-2-enoylamino)ethyl carbonate (CID 146262036) is ethenyl 2-(prop-2-enoylamino)ethyl carbonate.
What is the SMILES notation for ethenyl 2-(prop-2-enoylamino)ethyl carbonate?
The canonical SMILES for ethenyl 2-(prop-2-enoylamino)ethyl carbonate is C=COC(=O)OCCNC(=O)C=C.
What is the InChIKey of ethenyl 2-(prop-2-enoylamino)ethyl carbonate?
The InChIKey is NCKHDIVIJUJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-7(10)9-5-6-13-8(11)12-4-2/h3-4H,1-2,5-6H2,(H,9,10).
What are the key properties of ethenyl 2-(prop-2-enoylamino)ethyl carbonate?
ethenyl 2-(prop-2-enoylamino)ethyl carbonate has a molecular weight of 185.18 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(prop-2-enoylamino)ethyl carbonate is sourced from PubChem (CID 146262036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).