ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate

C10H16ClNO — CID 145266126

IUPACethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate
SMILESC=C.[H]/N=C(\CCl)OC/C(C=C)=C/C
InChIInChI=1S/C8H12ClNO.C2H4/c1-3-7(4-2)6-11-8(10)5-9;1-2/h3-4,10H,1,5-6H2,2H3;1-2H2/b7-4+,10-8+;
InChIKeyNRGLOLNLPDGZJS-JZZNUUKFSA-N
MW201.70 g/mol
LogP3.15
Rot. Bonds4

About ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate

ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate (PubChem CID 145266126) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate.

Molecular Properties

Compound Nameethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate
PubChem CID145266126
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Nameethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate
SMILESC=C.[H]/N=C(\CCl)OC/C(C=C)=C/C
InChIInChI=1S/C8H12ClNO.C2H4/c1-3-7(4-2)6-11-8(10)5-9;1-2/h3-4,10H,1,5-6H2,2H3;1-2H2/b7-4+,10-8+;
InChIKeyNRGLOLNLPDGZJS-JZZNUUKFSA-N
XLogP3.15
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] 2,2,2-trichloroethanimidate
CID 155736478
[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate
CID 145266127

Frequently Asked Questions

What is the IUPAC name of ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate?
The IUPAC name of ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate (CID 145266126) is ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate.
What is the SMILES notation for ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate?
The canonical SMILES for ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate is C=C.[H]/N=C(\CCl)OC/C(C=C)=C/C.
What is the InChIKey of ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate?
The InChIKey is NRGLOLNLPDGZJS-JZZNUUKFSA-N. The full InChI is InChI=1S/C8H12ClNO.C2H4/c1-3-7(4-2)6-11-8(10)5-9;1-2/h3-4,10H,1,5-6H2,2H3;1-2H2/b7-4+,10-8+;.
What are the key properties of ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate?
ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate has a molecular weight of 201.70 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[(E)-2-ethenylbut-2-enyl] 2-chloroethanimidate is sourced from PubChem (CID 145266126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).