(E)-3-chloro-N,2-dimethylbut-2-en-1-imine

C6H10ClN — CID 145347320

IUPAC(E)-3-chloro-N,2-dimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(\C)Cl
InChIInChI=1S/C6H10ClN/c1-5(4-8-3)6(2)7/h4H,1-3H3/b6-5+,8-4+
InChIKeyATSIXKBIWXJKPJ-PTFSRLPTSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds1

About (E)-3-chloro-N,2-dimethylbut-2-en-1-imine

(E)-3-chloro-N,2-dimethylbut-2-en-1-imine (PubChem CID 145347320) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is (E)-3-chloro-N,2-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-chloro-N,2-dimethylbut-2-en-1-imine
PubChem CID145347320
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name(E)-3-chloro-N,2-dimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(\C)Cl
InChIInChI=1S/C6H10ClN/c1-5(4-8-3)6(2)7/h4H,1-3H3/b6-5+,8-4+
InChIKeyATSIXKBIWXJKPJ-PTFSRLPTSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N,2-dimethylbut-2-en-1-imine?
The IUPAC name of (E)-3-chloro-N,2-dimethylbut-2-en-1-imine (CID 145347320) is (E)-3-chloro-N,2-dimethylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-chloro-N,2-dimethylbut-2-en-1-imine?
The canonical SMILES for (E)-3-chloro-N,2-dimethylbut-2-en-1-imine is C/N=C/C(C)=C(\C)Cl.
What is the InChIKey of (E)-3-chloro-N,2-dimethylbut-2-en-1-imine?
The InChIKey is ATSIXKBIWXJKPJ-PTFSRLPTSA-N. The full InChI is InChI=1S/C6H10ClN/c1-5(4-8-3)6(2)7/h4H,1-3H3/b6-5+,8-4+.
What are the key properties of (E)-3-chloro-N,2-dimethylbut-2-en-1-imine?
(E)-3-chloro-N,2-dimethylbut-2-en-1-imine has a molecular weight of 131.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N,2-dimethylbut-2-en-1-imine is sourced from PubChem (CID 145347320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).