1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride

C13H12ClNO — CID 59532605

IUPAC1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride
SMILESC/N=C(\Cl)c1ccc2ccccc2c1OC
InChIInChI=1S/C13H12ClNO/c1-15-13(14)11-8-7-9-5-3-4-6-10(9)12(11)16-2/h3-8H,1-2H3/b15-13-
InChIKeyMLOZLTIBYWOITK-SQFISAMPSA-N
MW233.70 g/mol
LogP3.46
Rot. Bonds2

About 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride

1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride (PubChem CID 59532605) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride.

Molecular Properties

Compound Name1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride
PubChem CID59532605
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride
SMILESC/N=C(\Cl)c1ccc2ccccc2c1OC
InChIInChI=1S/C13H12ClNO/c1-15-13(14)11-8-7-9-5-3-4-6-10(9)12(11)16-2/h3-8H,1-2H3/b15-13-
InChIKeyMLOZLTIBYWOITK-SQFISAMPSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride?
The IUPAC name of 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride (CID 59532605) is 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride.
What is the SMILES notation for 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride?
The canonical SMILES for 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride is C/N=C(\Cl)c1ccc2ccccc2c1OC.
What is the InChIKey of 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride?
The InChIKey is MLOZLTIBYWOITK-SQFISAMPSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-15-13(14)11-8-7-9-5-3-4-6-10(9)12(11)16-2/h3-8H,1-2H3/b15-13-.
What are the key properties of 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride?
1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride has a molecular weight of 233.70 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride is sourced from PubChem (CID 59532605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).