1,1-dichloroethene;urea

C3H6Cl2N2O — CID 174817007

IUPAC1,1-dichloroethene;urea
SMILESC=C(Cl)Cl.NC(N)=O
InChIInChI=1S/C2H2Cl2.CH4N2O/c1-2(3)4;2-1(3)4/h1H2;(H4,2,3,4)
InChIKeyLSRIBJHYLZJCAV-UHFFFAOYSA-N
MW157.00 g/mol
LogP0.96
Rot. Bonds

About 1,1-dichloroethene;urea

1,1-dichloroethene;urea (PubChem CID 174817007) has the molecular formula C3H6Cl2N2O and a molecular weight of 157.00 g/mol. Its IUPAC name is 1,1-dichloroethene;urea.

Molecular Properties

Compound Name1,1-dichloroethene;urea
PubChem CID174817007
Molecular FormulaC3H6Cl2N2O
Molecular Weight157.00 g/mol
Exact Mass155.99
IUPAC Name1,1-dichloroethene;urea
SMILESC=C(Cl)Cl.NC(N)=O
InChIInChI=1S/C2H2Cl2.CH4N2O/c1-2(3)4;2-1(3)4/h1H2;(H4,2,3,4)
InChIKeyLSRIBJHYLZJCAV-UHFFFAOYSA-N
XLogP0.96
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.00
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethene;urea?
The IUPAC name of 1,1-dichloroethene;urea (CID 174817007) is 1,1-dichloroethene;urea.
What is the SMILES notation for 1,1-dichloroethene;urea?
The canonical SMILES for 1,1-dichloroethene;urea is C=C(Cl)Cl.NC(N)=O.
What is the InChIKey of 1,1-dichloroethene;urea?
The InChIKey is LSRIBJHYLZJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2.CH4N2O/c1-2(3)4;2-1(3)4/h1H2;(H4,2,3,4).
What are the key properties of 1,1-dichloroethene;urea?
1,1-dichloroethene;urea has a molecular weight of 157.00 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethene;urea is sourced from PubChem (CID 174817007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).