N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride

C8H11Cl2N — CID 123329558

IUPACN-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride
SMILESC=C(C)C(Cl)=NC(Cl)=C(C)C
InChIInChI=1S/C8H11Cl2N/c1-5(2)7(9)11-8(10)6(3)4/h1H2,2-4H3
InChIKeyIYPRCJWQQLGHAB-UHFFFAOYSA-N
MW192.09 g/mol
LogP3.69
Rot. Bonds2

About N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride

N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride (PubChem CID 123329558) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride
PubChem CID123329558
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC NameN-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride
SMILESC=C(C)C(Cl)=NC(Cl)=C(C)C
InChIInChI=1S/C8H11Cl2N/c1-5(2)7(9)11-8(10)6(3)4/h1H2,2-4H3
InChIKeyIYPRCJWQQLGHAB-UHFFFAOYSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride?
The IUPAC name of N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride (CID 123329558) is N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride.
What is the SMILES notation for N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride?
The canonical SMILES for N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride is C=C(C)C(Cl)=NC(Cl)=C(C)C.
What is the InChIKey of N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride?
The InChIKey is IYPRCJWQQLGHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N/c1-5(2)7(9)11-8(10)6(3)4/h1H2,2-4H3.
What are the key properties of N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride?
N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride has a molecular weight of 192.09 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylprop-1-enyl)-2-methylprop-2-enimidoyl chloride is sourced from PubChem (CID 123329558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).