(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine

C9H11ClN2 — CID 143713255

IUPAC(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine
SMILESC=C(Cl)/C=C1/C=CCN/C1=N\C
InChIInChI=1S/C9H11ClN2/c1-7(10)6-8-4-3-5-12-9(8)11-2/h3-4,6H,1,5H2,2H3,(H,11,12)/b8-6-
InChIKeyLFSYQJOFMHDTHF-VURMDHGXSA-N
MW182.65 g/mol
LogP1.85
Rot. Bonds1

About (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine

(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine (PubChem CID 143713255) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine.

Molecular Properties

Compound Name(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine
PubChem CID143713255
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine
SMILESC=C(Cl)/C=C1/C=CCN/C1=N\C
InChIInChI=1S/C9H11ClN2/c1-7(10)6-8-4-3-5-12-9(8)11-2/h3-4,6H,1,5H2,2H3,(H,11,12)/b8-6-
InChIKeyLFSYQJOFMHDTHF-VURMDHGXSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
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 (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine?
The IUPAC name of (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine (CID 143713255) is (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine.
What is the SMILES notation for (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine?
The canonical SMILES for (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine is C=C(Cl)/C=C1/C=CCN/C1=N\C.
What is the InChIKey of (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine?
The InChIKey is LFSYQJOFMHDTHF-VURMDHGXSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-7(10)6-8-4-3-5-12-9(8)11-2/h3-4,6H,1,5H2,2H3,(H,11,12)/b8-6-.
What are the key properties of (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine?
(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine has a molecular weight of 182.65 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine is sourced from PubChem (CID 143713255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).