3,3-dichloroprop-2-enylidene(dimethyl)azanium

C5H8Cl2N+ — CID 11019622

IUPAC3,3-dichloroprop-2-enylidene(dimethyl)azanium
SMILESC[N+](C)=CC=C(Cl)Cl
InChIInChI=1S/C5H8Cl2N/c1-8(2)4-3-5(6)7/h3-4H,1-2H3/q+1
InChIKeyCZMWUCWPOIUSDD-UHFFFAOYSA-N
MW153.03 g/mol
LogP1.65
Rot. Bonds1

About 3,3-dichloroprop-2-enylidene(dimethyl)azanium

3,3-dichloroprop-2-enylidene(dimethyl)azanium (PubChem CID 11019622) has the molecular formula C5H8Cl2N+ and a molecular weight of 153.03 g/mol. Its IUPAC name is 3,3-dichloroprop-2-enylidene(dimethyl)azanium.

Molecular Properties

Compound Name3,3-dichloroprop-2-enylidene(dimethyl)azanium
PubChem CID11019622
Molecular FormulaC5H8Cl2N+
Molecular Weight153.03 g/mol
Exact Mass152.00
IUPAC Name3,3-dichloroprop-2-enylidene(dimethyl)azanium
SMILESC[N+](C)=CC=C(Cl)Cl
InChIInChI=1S/C5H8Cl2N/c1-8(2)4-3-5(6)7/h3-4H,1-2H3/q+1
InChIKeyCZMWUCWPOIUSDD-UHFFFAOYSA-N
XLogP1.65
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.03
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloroprop-2-enylidene(dimethyl)azanium?
The IUPAC name of 3,3-dichloroprop-2-enylidene(dimethyl)azanium (CID 11019622) is 3,3-dichloroprop-2-enylidene(dimethyl)azanium.
What is the SMILES notation for 3,3-dichloroprop-2-enylidene(dimethyl)azanium?
The canonical SMILES for 3,3-dichloroprop-2-enylidene(dimethyl)azanium is C[N+](C)=CC=C(Cl)Cl.
What is the InChIKey of 3,3-dichloroprop-2-enylidene(dimethyl)azanium?
The InChIKey is CZMWUCWPOIUSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2N/c1-8(2)4-3-5(6)7/h3-4H,1-2H3/q+1.
What are the key properties of 3,3-dichloroprop-2-enylidene(dimethyl)azanium?
3,3-dichloroprop-2-enylidene(dimethyl)azanium has a molecular weight of 153.03 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloroprop-2-enylidene(dimethyl)azanium is sourced from PubChem (CID 11019622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).