N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride

C6H6ClN — CID 123657678

IUPACN-cycloprop-2-en-1-ylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C1C=C1
InChIInChI=1S/C6H6ClN/c1-2-6(7)8-5-3-4-5/h2-5H,1H2/b8-6-
InChIKeyXUIQTFVZQBNFFZ-VURMDHGXSA-N
MW127.57 g/mol
LogP1.75
Rot. Bonds2

About N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride

N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride (PubChem CID 123657678) has the molecular formula C6H6ClN and a molecular weight of 127.57 g/mol. Its IUPAC name is N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-cycloprop-2-en-1-ylprop-2-enimidoyl chloride
PubChem CID123657678
Molecular FormulaC6H6ClN
Molecular Weight127.57 g/mol
Exact Mass127.02
IUPAC NameN-cycloprop-2-en-1-ylprop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C1C=C1
InChIInChI=1S/C6H6ClN/c1-2-6(7)8-5-3-4-5/h2-5H,1H2/b8-6-
InChIKeyXUIQTFVZQBNFFZ-VURMDHGXSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride?
The IUPAC name of N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride (CID 123657678) is N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride.
What is the SMILES notation for N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride?
The canonical SMILES for N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride is C=C/C(Cl)=N/C1C=C1.
What is the InChIKey of N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride?
The InChIKey is XUIQTFVZQBNFFZ-VURMDHGXSA-N. The full InChI is InChI=1S/C6H6ClN/c1-2-6(7)8-5-3-4-5/h2-5H,1H2/b8-6-.
What are the key properties of N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride?
N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride has a molecular weight of 127.57 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloprop-2-en-1-ylprop-2-enimidoyl chloride is sourced from PubChem (CID 123657678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).