8-ethenyl-N-methyl-7H-naphthalen-1-imine

C13H13N — CID 146638891

IUPAC8-ethenyl-N-methyl-7H-naphthalen-1-imine
SMILESC=CC1=C2C(=CC=C/C2=N\C)C=CC1
InChIInChI=1S/C13H13N/c1-3-10-6-4-7-11-8-5-9-12(14-2)13(10)11/h3-5,7-9H,1,6H2,2H3/b14-12+
InChIKeyMJYRWQYTKGTBDR-WYMLVPIESA-N
MW183.25 g/mol
LogP3.00
Rot. Bonds1

About 8-ethenyl-N-methyl-7H-naphthalen-1-imine

8-ethenyl-N-methyl-7H-naphthalen-1-imine (PubChem CID 146638891) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 8-ethenyl-N-methyl-7H-naphthalen-1-imine.

Molecular Properties

Compound Name8-ethenyl-N-methyl-7H-naphthalen-1-imine
PubChem CID146638891
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name8-ethenyl-N-methyl-7H-naphthalen-1-imine
SMILESC=CC1=C2C(=CC=C/C2=N\C)C=CC1
InChIInChI=1S/C13H13N/c1-3-10-6-4-7-11-8-5-9-12(14-2)13(10)11/h3-5,7-9H,1,6H2,2H3/b14-12+
InChIKeyMJYRWQYTKGTBDR-WYMLVPIESA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.00
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 8-ethenyl-N-methyl-7H-naphthalen-1-imine?
The IUPAC name of 8-ethenyl-N-methyl-7H-naphthalen-1-imine (CID 146638891) is 8-ethenyl-N-methyl-7H-naphthalen-1-imine.
What is the SMILES notation for 8-ethenyl-N-methyl-7H-naphthalen-1-imine?
The canonical SMILES for 8-ethenyl-N-methyl-7H-naphthalen-1-imine is C=CC1=C2C(=CC=C/C2=N\C)C=CC1.
What is the InChIKey of 8-ethenyl-N-methyl-7H-naphthalen-1-imine?
The InChIKey is MJYRWQYTKGTBDR-WYMLVPIESA-N. The full InChI is InChI=1S/C13H13N/c1-3-10-6-4-7-11-8-5-9-12(14-2)13(10)11/h3-5,7-9H,1,6H2,2H3/b14-12+.
What are the key properties of 8-ethenyl-N-methyl-7H-naphthalen-1-imine?
8-ethenyl-N-methyl-7H-naphthalen-1-imine has a molecular weight of 183.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-N-methyl-7H-naphthalen-1-imine is sourced from PubChem (CID 146638891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).