(Z)-N-ethoxy-1-naphthalen-2-ylmethanimine

C13H13NO — CID 53308543

IUPAC(Z)-N-ethoxy-1-naphthalen-2-ylmethanimine
SMILESCCO/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO/c1-2-15-14-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3/b14-10-
InChIKeyVFDAZDHCBNMRQF-UVTDQMKNSA-N
MW199.25 g/mol
LogP3.21
Rot. Bonds3

About (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine

(Z)-N-ethoxy-1-naphthalen-2-ylmethanimine (PubChem CID 53308543) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-ethoxy-1-naphthalen-2-ylmethanimine
PubChem CID53308543
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(Z)-N-ethoxy-1-naphthalen-2-ylmethanimine
SMILESCCO/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO/c1-2-15-14-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3/b14-10-
InChIKeyVFDAZDHCBNMRQF-UVTDQMKNSA-N
XLogP3.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine?
The IUPAC name of (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine (CID 53308543) is (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine?
The canonical SMILES for (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine is CCO/N=C\c1ccc2ccccc2c1.
What is the InChIKey of (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine?
The InChIKey is VFDAZDHCBNMRQF-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-15-14-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3/b14-10-.
What are the key properties of (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine?
(Z)-N-ethoxy-1-naphthalen-2-ylmethanimine has a molecular weight of 199.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 53308543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).