chloroethene;ethyl carbamate;acetate

C7H13ClNO4- — CID 22003390

IUPACchloroethene;ethyl carbamate;acetate
SMILESC=CCl.CC(=O)[O-].CCOC(N)=O
InChIInChI=1S/C3H7NO2.C2H3Cl.C2H4O2/c1-2-6-3(4)5;1-2-3;1-2(3)4/h2H2,1H3,(H2,4,5);2H,1H2;1H3,(H,3,4)/p-1
InChIKeyYATVTANHCQAHHY-UHFFFAOYSA-M
MW210.64 g/mol
LogP0.23
Rot. Bonds1

About chloroethene;ethyl carbamate;acetate

chloroethene;ethyl carbamate;acetate (PubChem CID 22003390) has the molecular formula C7H13ClNO4- and a molecular weight of 210.64 g/mol. Its IUPAC name is chloroethene;ethyl carbamate;acetate.

Molecular Properties

Compound Namechloroethene;ethyl carbamate;acetate
PubChem CID22003390
Molecular FormulaC7H13ClNO4-
Molecular Weight210.64 g/mol
Exact Mass210.05
IUPAC Namechloroethene;ethyl carbamate;acetate
SMILESC=CCl.CC(=O)[O-].CCOC(N)=O
InChIInChI=1S/C3H7NO2.C2H3Cl.C2H4O2/c1-2-6-3(4)5;1-2-3;1-2(3)4/h2H2,1H3,(H2,4,5);2H,1H2;1H3,(H,3,4)/p-1
InChIKeyYATVTANHCQAHHY-UHFFFAOYSA-M
XLogP0.23
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze chloroethene;ethyl carbamate;acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloroethene;ethyl acetate
CID 19771492
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
acetic acid;ethyl carbamate
CID 157349378
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
azane;ethyl carbamate;prop-2-enoic acid
CID 172762605
ethyl carbamate;platinum
CID 174699937
acetaldehyde;ethyl carbamate
CID 23340289
CID 173388727
CID 173388727
ethyl carbamate;oxotitanium
CID 174887508

Frequently Asked Questions

What is the IUPAC name of chloroethene;ethyl carbamate;acetate?
The IUPAC name of chloroethene;ethyl carbamate;acetate (CID 22003390) is chloroethene;ethyl carbamate;acetate.
What is the SMILES notation for chloroethene;ethyl carbamate;acetate?
The canonical SMILES for chloroethene;ethyl carbamate;acetate is C=CCl.CC(=O)[O-].CCOC(N)=O.
What is the InChIKey of chloroethene;ethyl carbamate;acetate?
The InChIKey is YATVTANHCQAHHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO2.C2H3Cl.C2H4O2/c1-2-6-3(4)5;1-2-3;1-2(3)4/h2H2,1H3,(H2,4,5);2H,1H2;1H3,(H,3,4)/p-1.
What are the key properties of chloroethene;ethyl carbamate;acetate?
chloroethene;ethyl carbamate;acetate has a molecular weight of 210.64 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethyl carbamate;acetate is sourced from PubChem (CID 22003390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).