3-chloro-N,2-dimethylbut-2-enimidoyl chloride

C6H9Cl2N — CID 91351263

IUPAC3-chloro-N,2-dimethylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C(C)=C(C)Cl
InChIInChI=1S/C6H9Cl2N/c1-4(5(2)7)6(8)9-3/h1-3H3/b5-4?,9-6-
InChIKeyBKOKOOOMBXMDLG-CSZDEEEVSA-N
MW166.05 g/mol
LogP2.79
Rot. Bonds1

About 3-chloro-N,2-dimethylbut-2-enimidoyl chloride

3-chloro-N,2-dimethylbut-2-enimidoyl chloride (PubChem CID 91351263) has the molecular formula C6H9Cl2N and a molecular weight of 166.05 g/mol. Its IUPAC name is 3-chloro-N,2-dimethylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name3-chloro-N,2-dimethylbut-2-enimidoyl chloride
PubChem CID91351263
Molecular FormulaC6H9Cl2N
Molecular Weight166.05 g/mol
Exact Mass165.01
IUPAC Name3-chloro-N,2-dimethylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C(C)=C(C)Cl
InChIInChI=1S/C6H9Cl2N/c1-4(5(2)7)6(8)9-3/h1-3H3/b5-4?,9-6-
InChIKeyBKOKOOOMBXMDLG-CSZDEEEVSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,4,4-trifluoro-N,2-dimethylbut-2-enimidoyl chloride
CID 147493690
(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride
CID 139576170
1,2-dichloroprop-1-en-1-amine
CID 140981161
CID 102017539
CID 102017539
(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
CID 163386940
(1Z)-N-hydroxy-2-(2-hydroxyiminopropylideneamino)-2-methyliminoethanimidoyl chloride
CID 172965724
N'-methylethanimidamide;vanadium
CID 161014708
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
2,3-dimethylbut-2-enedioyl dichloride
CID 123868279
(Z)-2-chloro-1-fluoroprop-1-en-1-ol
CID 173270736
N,N'-dimethylcarbamimidoyl chloride;hydrochloride
CID 14852963
(E)-2,5-dichloro-3-methylpent-2-ene
CID 55302480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethylbut-2-enimidoyl chloride?
The IUPAC name of 3-chloro-N,2-dimethylbut-2-enimidoyl chloride (CID 91351263) is 3-chloro-N,2-dimethylbut-2-enimidoyl chloride.
What is the SMILES notation for 3-chloro-N,2-dimethylbut-2-enimidoyl chloride?
The canonical SMILES for 3-chloro-N,2-dimethylbut-2-enimidoyl chloride is C/N=C(\Cl)C(C)=C(C)Cl.
What is the InChIKey of 3-chloro-N,2-dimethylbut-2-enimidoyl chloride?
The InChIKey is BKOKOOOMBXMDLG-CSZDEEEVSA-N. The full InChI is InChI=1S/C6H9Cl2N/c1-4(5(2)7)6(8)9-3/h1-3H3/b5-4?,9-6-.
What are the key properties of 3-chloro-N,2-dimethylbut-2-enimidoyl chloride?
3-chloro-N,2-dimethylbut-2-enimidoyl chloride has a molecular weight of 166.05 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethylbut-2-enimidoyl chloride is sourced from PubChem (CID 91351263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).