N-methyl-1-naphthalen-1-ylmethanimine oxide

C12H11NO — CID 6193982

IUPACN-methyl-1-naphthalen-1-ylmethanimine oxide
SMILESC/[N+]([O-])=C/c1cccc2ccccc12
InChIInChI=1S/C12H11NO/c1-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3/b13-9-
InChIKeyNXRDRADFHHSGPZ-LCYFTJDESA-N
MW185.23 g/mol
LogP2.40
Rot. Bonds1

About N-methyl-1-naphthalen-1-ylmethanimine oxide

N-methyl-1-naphthalen-1-ylmethanimine oxide (PubChem CID 6193982) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-ylmethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-ylmethanimine oxide
PubChem CID6193982
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC NameN-methyl-1-naphthalen-1-ylmethanimine oxide
SMILESC/[N+]([O-])=C/c1cccc2ccccc12
InChIInChI=1S/C12H11NO/c1-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3/b13-9-
InChIKeyNXRDRADFHHSGPZ-LCYFTJDESA-N
XLogP2.40
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-ylmethanimine oxide?
The IUPAC name of N-methyl-1-naphthalen-1-ylmethanimine oxide (CID 6193982) is N-methyl-1-naphthalen-1-ylmethanimine oxide.
What is the SMILES notation for N-methyl-1-naphthalen-1-ylmethanimine oxide?
The canonical SMILES for N-methyl-1-naphthalen-1-ylmethanimine oxide is C/[N+]([O-])=C/c1cccc2ccccc12.
What is the InChIKey of N-methyl-1-naphthalen-1-ylmethanimine oxide?
The InChIKey is NXRDRADFHHSGPZ-LCYFTJDESA-N. The full InChI is InChI=1S/C12H11NO/c1-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9H,1H3/b13-9-.
What are the key properties of N-methyl-1-naphthalen-1-ylmethanimine oxide?
N-methyl-1-naphthalen-1-ylmethanimine oxide has a molecular weight of 185.23 g/mol, XLogP of 2.40, 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-1-ylmethanimine oxide is sourced from PubChem (CID 6193982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).