2-(chlorooxyamino)ethenyl acetate

C4H6ClNO3 — CID 56995616

IUPAC2-(chlorooxyamino)ethenyl acetate
SMILESCC(=O)OC=CNOCl
InChIInChI=1S/C4H6ClNO3/c1-4(7)8-3-2-6-9-5/h2-3,6H,1H3
InChIKeyORVLQEORXAIYLL-UHFFFAOYSA-N
MW151.55 g/mol
LogP0.70
Rot. Bonds3

About 2-(chlorooxyamino)ethenyl acetate

2-(chlorooxyamino)ethenyl acetate (PubChem CID 56995616) has the molecular formula C4H6ClNO3 and a molecular weight of 151.55 g/mol. Its IUPAC name is 2-(chlorooxyamino)ethenyl acetate.

Molecular Properties

Compound Name2-(chlorooxyamino)ethenyl acetate
PubChem CID56995616
Molecular FormulaC4H6ClNO3
Molecular Weight151.55 g/mol
Exact Mass151.00
IUPAC Name2-(chlorooxyamino)ethenyl acetate
SMILESCC(=O)OC=CNOCl
InChIInChI=1S/C4H6ClNO3/c1-4(7)8-3-2-6-9-5/h2-3,6H,1H3
InChIKeyORVLQEORXAIYLL-UHFFFAOYSA-N
XLogP0.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.55
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyloxyethenylamino)acetic acid
CID 152617117
[(E)-prop-1-enyl] acetate
CID 637917
2-chloroethenyl acetate;ethene
CID 175726418
2-ethoxyethenyl acetate
CID 548203
chloro acetate;yttrium
CID 174640124
6-chlorohexa-1,3,5-trienyl acetate
CID 174570598
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
3-[[2-(3-acetyloxyprop-2-enylamino)-2-oxoacetyl]amino]prop-1-enyl acetate
CID 173335411
2-acetyloxyethenesulfinic acid
CID 174787395
[(1E,3Z)-4-acetyloxy-3-methylbuta-1,3-dienyl] acetate
CID 15916858
but-1-enyl acetate;hydrofluoride
CID 172761898
methoxysilane;prop-1-enyl acetate
CID 174837390

Frequently Asked Questions

What is the IUPAC name of 2-(chlorooxyamino)ethenyl acetate?
The IUPAC name of 2-(chlorooxyamino)ethenyl acetate (CID 56995616) is 2-(chlorooxyamino)ethenyl acetate.
What is the SMILES notation for 2-(chlorooxyamino)ethenyl acetate?
The canonical SMILES for 2-(chlorooxyamino)ethenyl acetate is CC(=O)OC=CNOCl.
What is the InChIKey of 2-(chlorooxyamino)ethenyl acetate?
The InChIKey is ORVLQEORXAIYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO3/c1-4(7)8-3-2-6-9-5/h2-3,6H,1H3.
What are the key properties of 2-(chlorooxyamino)ethenyl acetate?
2-(chlorooxyamino)ethenyl acetate has a molecular weight of 151.55 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chlorooxyamino)ethenyl acetate is sourced from PubChem (CID 56995616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).