N,2,3-trimethylbut-2-enimidoyl chloride

C7H12ClN — CID 90879753

IUPACN,2,3-trimethylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C(C)=C(C)C
InChIInChI=1S/C7H12ClN/c1-5(2)6(3)7(8)9-4/h1-4H3/b9-7-
InChIKeyWGHDNAFGJPPIGN-CLFYSBASSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds1

About N,2,3-trimethylbut-2-enimidoyl chloride

N,2,3-trimethylbut-2-enimidoyl chloride (PubChem CID 90879753) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is N,2,3-trimethylbut-2-enimidoyl chloride.

Molecular Properties

Compound NameN,2,3-trimethylbut-2-enimidoyl chloride
PubChem CID90879753
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC NameN,2,3-trimethylbut-2-enimidoyl chloride
SMILESC/N=C(\Cl)C(C)=C(C)C
InChIInChI=1S/C7H12ClN/c1-5(2)6(3)7(8)9-4/h1-4H3/b9-7-
InChIKeyWGHDNAFGJPPIGN-CLFYSBASSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.61
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

(E)-3-chloro-N,2-dimethylbut-2-enimidoyl chloride
CID 90869664
3-chloro-N,2-dimethylbut-2-enimidoyl chloride
CID 91351263
3-chloro-N,2-dimethylbut-2-en-1-imine
CID 123264521
3-chloro-N-ethyl-2-methylbut-2-enimidoyl chloride
CID 123909762
(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride
CID 138459578
(Z)-N,2-dimethylbut-2-enimidoyl chloride
CID 138525879
N,2-dimethylprop-2-enimidoyl chloride
CID 144974240
(E)-3-chloro-N,2-dimethylbut-2-en-1-imine
CID 145347320

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethylbut-2-enimidoyl chloride?
The IUPAC name of N,2,3-trimethylbut-2-enimidoyl chloride (CID 90879753) is N,2,3-trimethylbut-2-enimidoyl chloride.
What is the SMILES notation for N,2,3-trimethylbut-2-enimidoyl chloride?
The canonical SMILES for N,2,3-trimethylbut-2-enimidoyl chloride is C/N=C(\Cl)C(C)=C(C)C.
What is the InChIKey of N,2,3-trimethylbut-2-enimidoyl chloride?
The InChIKey is WGHDNAFGJPPIGN-CLFYSBASSA-N. The full InChI is InChI=1S/C7H12ClN/c1-5(2)6(3)7(8)9-4/h1-4H3/b9-7-.
What are the key properties of N,2,3-trimethylbut-2-enimidoyl chloride?
N,2,3-trimethylbut-2-enimidoyl chloride has a molecular weight of 145.63 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethylbut-2-enimidoyl chloride is sourced from PubChem (CID 90879753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).