N-methyl-1-naphthalen-2-ylethanimine oxide

C13H13NO — CID 134896840

IUPACN-methyl-1-naphthalen-2-ylethanimine oxide
SMILESC/C(c1ccc2ccccc2c1)=[N+](\C)[O-]
InChIInChI=1S/C13H13NO/c1-10(14(2)15)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1-2H3/b14-10-
InChIKeyKOBPVCMSKVEVKN-UVTDQMKNSA-N
MW199.25 g/mol
LogP2.79
Rot. Bonds1

About N-methyl-1-naphthalen-2-ylethanimine oxide

N-methyl-1-naphthalen-2-ylethanimine oxide (PubChem CID 134896840) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-ylethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-ylethanimine oxide
PubChem CID134896840
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-methyl-1-naphthalen-2-ylethanimine oxide
SMILESC/C(c1ccc2ccccc2c1)=[N+](\C)[O-]
InChIInChI=1S/C13H13NO/c1-10(14(2)15)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1-2H3/b14-10-
InChIKeyKOBPVCMSKVEVKN-UVTDQMKNSA-N
XLogP2.79
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
CID 25033772
2-(1-nitroprop-1-enyl)naphthalene
CID 159063148
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
dinaphthalen-2-ylmethylidenezirconium(2+)
CID 23124106
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide
CID 88650560
naphthalene-2-carboxylic acid
CID 175967775
(Z)-1-naphthalen-2-ylprop-1-en-1-amine
CID 21343656

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-ylethanimine oxide?
The IUPAC name of N-methyl-1-naphthalen-2-ylethanimine oxide (CID 134896840) is N-methyl-1-naphthalen-2-ylethanimine oxide.
What is the SMILES notation for N-methyl-1-naphthalen-2-ylethanimine oxide?
The canonical SMILES for N-methyl-1-naphthalen-2-ylethanimine oxide is C/C(c1ccc2ccccc2c1)=[N+](\C)[O-].
What is the InChIKey of N-methyl-1-naphthalen-2-ylethanimine oxide?
The InChIKey is KOBPVCMSKVEVKN-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H13NO/c1-10(14(2)15)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1-2H3/b14-10-.
What are the key properties of N-methyl-1-naphthalen-2-ylethanimine oxide?
N-methyl-1-naphthalen-2-ylethanimine oxide has a molecular weight of 199.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-ylethanimine oxide is sourced from PubChem (CID 134896840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).