1,1-dichloroethene;1-ethenylpyrrolidin-2-one

C8H11Cl2NO — CID 19798230

IUPAC1,1-dichloroethene;1-ethenylpyrrolidin-2-one
SMILESC=C(Cl)Cl.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C2H2Cl2/c1-2-7-5-3-4-6(7)8;1-2(3)4/h2H,1,3-5H2;1H2
InChIKeyXQJMDPGOPFPLJA-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.69
Rot. Bonds1

About 1,1-dichloroethene;1-ethenylpyrrolidin-2-one

1,1-dichloroethene;1-ethenylpyrrolidin-2-one (PubChem CID 19798230) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 1,1-dichloroethene;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1,1-dichloroethene;1-ethenylpyrrolidin-2-one
PubChem CID19798230
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name1,1-dichloroethene;1-ethenylpyrrolidin-2-one
SMILESC=C(Cl)Cl.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C2H2Cl2/c1-2-7-5-3-4-6(7)8;1-2(3)4/h2H,1,3-5H2;1H2
InChIKeyXQJMDPGOPFPLJA-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethene;1-ethenylpyrrolidin-2-one?
The IUPAC name of 1,1-dichloroethene;1-ethenylpyrrolidin-2-one (CID 19798230) is 1,1-dichloroethene;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1,1-dichloroethene;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 1,1-dichloroethene;1-ethenylpyrrolidin-2-one is C=C(Cl)Cl.C=CN1CCCC1=O.
What is the InChIKey of 1,1-dichloroethene;1-ethenylpyrrolidin-2-one?
The InChIKey is XQJMDPGOPFPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H2Cl2/c1-2-7-5-3-4-6(7)8;1-2(3)4/h2H,1,3-5H2;1H2.
What are the key properties of 1,1-dichloroethene;1-ethenylpyrrolidin-2-one?
1,1-dichloroethene;1-ethenylpyrrolidin-2-one has a molecular weight of 208.09 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethene;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 19798230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).