N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride

C7H11ClN2O — CID 74952761

IUPACN-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride
SMILESCON=C(Cl)C1=CCCNC1
InChIInChI=1S/C7H11ClN2O/c1-11-10-7(8)6-3-2-4-9-5-6/h3,9H,2,4-5H2,1H3
InChIKeyLKAUKJVEPDEVHI-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.10
Rot. Bonds2

About N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride

N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride (PubChem CID 74952761) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride.

Molecular Properties

Compound NameN-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride
PubChem CID74952761
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC NameN-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride
SMILESCON=C(Cl)C1=CCCNC1
InChIInChI=1S/C7H11ClN2O/c1-11-10-7(8)6-3-2-4-9-5-6/h3,9H,2,4-5H2,1H3
InChIKeyLKAUKJVEPDEVHI-UHFFFAOYSA-N
XLogP1.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride?
The IUPAC name of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride (CID 74952761) is N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride.
What is the SMILES notation for N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride?
The canonical SMILES for N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride is CON=C(Cl)C1=CCCNC1.
What is the InChIKey of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride?
The InChIKey is LKAUKJVEPDEVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-11-10-7(8)6-3-2-4-9-5-6/h3,9H,2,4-5H2,1H3.
What are the key properties of N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride?
N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride has a molecular weight of 174.63 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride is sourced from PubChem (CID 74952761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).