(E)-2-chloro-N-methylpent-2-en-1-imine

C6H10ClN — CID 89029025

IUPAC(E)-2-chloro-N-methylpent-2-en-1-imine
SMILESCC/C=C(\C=NC)/Cl
InChIInChI=1S/C6H10ClN/c1-3-4-6(7)5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5?
InChIKeySEAOLYZVVSPRJX-IHXNKUKYSA-N
MW131.60 g/mol
LogP2.00
Rot. Bonds2

About (E)-2-chloro-N-methylpent-2-en-1-imine

(E)-2-chloro-N-methylpent-2-en-1-imine (PubChem CID 89029025) has the molecular formula C6H10ClN and a molecular weight of 131.60 g/mol. Its IUPAC name is (E)-2-chloro-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-chloro-N-methylpent-2-en-1-imine
PubChem CID89029025
Molecular FormulaC6H10ClN
Molecular Weight131.60 g/mol
Exact Mass131.05
IUPAC Name(E)-2-chloro-N-methylpent-2-en-1-imine
SMILESCC/C=C(\C=NC)/Cl
InChIInChI=1S/C6H10ClN/c1-3-4-6(7)5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5?
InChIKeySEAOLYZVVSPRJX-IHXNKUKYSA-N
XLogP2.00
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity105

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.60
LogP ≤ 52.00
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)-2-chloro-N-methylpent-2-en-1-imine?
The IUPAC name of (E)-2-chloro-N-methylpent-2-en-1-imine (CID 89029025) is (E)-2-chloro-N-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-2-chloro-N-methylpent-2-en-1-imine?
The canonical SMILES for (E)-2-chloro-N-methylpent-2-en-1-imine is CC/C=C(\C=NC)/Cl.
What is the InChIKey of (E)-2-chloro-N-methylpent-2-en-1-imine?
The InChIKey is SEAOLYZVVSPRJX-IHXNKUKYSA-N. The full InChI is InChI=1S/C6H10ClN/c1-3-4-6(7)5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5?.
What are the key properties of (E)-2-chloro-N-methylpent-2-en-1-imine?
(E)-2-chloro-N-methylpent-2-en-1-imine has a molecular weight of 131.60 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-N-methylpent-2-en-1-imine is sourced from PubChem (CID 89029025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).