azane;chloromethyl ethenyl carbonate

C4H8ClNO3 — CID 174846723

IUPACazane;chloromethyl ethenyl carbonate
SMILESC=COC(=O)OCCl.N
InChIInChI=1S/C4H5ClO3.H3N/c1-2-7-4(6)8-3-5;/h2H,1,3H2;1H3
InChIKeyQZARAYNCEMRHIN-UHFFFAOYSA-N
MW153.56 g/mol
LogP1.64
Rot. Bonds2

About azane;chloromethyl ethenyl carbonate

azane;chloromethyl ethenyl carbonate (PubChem CID 174846723) has the molecular formula C4H8ClNO3 and a molecular weight of 153.56 g/mol. Its IUPAC name is azane;chloromethyl ethenyl carbonate.

Molecular Properties

Compound Nameazane;chloromethyl ethenyl carbonate
PubChem CID174846723
Molecular FormulaC4H8ClNO3
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Nameazane;chloromethyl ethenyl carbonate
SMILESC=COC(=O)OCCl.N
InChIInChI=1S/C4H5ClO3.H3N/c1-2-7-4(6)8-3-5;/h2H,1,3H2;1H3
InChIKeyQZARAYNCEMRHIN-UHFFFAOYSA-N
XLogP1.64
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;chloromethyl ethenyl carbonate?
The IUPAC name of azane;chloromethyl ethenyl carbonate (CID 174846723) is azane;chloromethyl ethenyl carbonate.
What is the SMILES notation for azane;chloromethyl ethenyl carbonate?
The canonical SMILES for azane;chloromethyl ethenyl carbonate is C=COC(=O)OCCl.N.
What is the InChIKey of azane;chloromethyl ethenyl carbonate?
The InChIKey is QZARAYNCEMRHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3.H3N/c1-2-7-4(6)8-3-5;/h2H,1,3H2;1H3.
What are the key properties of azane;chloromethyl ethenyl carbonate?
azane;chloromethyl ethenyl carbonate has a molecular weight of 153.56 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;chloromethyl ethenyl carbonate is sourced from PubChem (CID 174846723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).