(1-naphthalen-2-ylethylideneamino) acetate

C14H13NO2 — CID 54130886

IUPAC(1-naphthalen-2-ylethylideneamino) acetate
SMILESCC(=O)ON=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO2/c1-10(15-17-11(2)16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9H,1-2H3
InChIKeyNUGWOEZELSTUCA-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.13
Rot. Bonds2

About (1-naphthalen-2-ylethylideneamino) acetate

(1-naphthalen-2-ylethylideneamino) acetate (PubChem CID 54130886) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1-naphthalen-2-ylethylideneamino) acetate.

Molecular Properties

Compound Name(1-naphthalen-2-ylethylideneamino) acetate
PubChem CID54130886
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(1-naphthalen-2-ylethylideneamino) acetate
SMILESCC(=O)ON=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO2/c1-10(15-17-11(2)16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9H,1-2H3
InChIKeyNUGWOEZELSTUCA-UHFFFAOYSA-N
XLogP3.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851
(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
CID 177400988
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
[methyl(naphthalene-2-carbonyl)amino] acetate
CID 59280990
[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate
CID 172922973
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylethylideneamino) acetate?
The IUPAC name of (1-naphthalen-2-ylethylideneamino) acetate (CID 54130886) is (1-naphthalen-2-ylethylideneamino) acetate.
What is the SMILES notation for (1-naphthalen-2-ylethylideneamino) acetate?
The canonical SMILES for (1-naphthalen-2-ylethylideneamino) acetate is CC(=O)ON=C(C)c1ccc2ccccc2c1.
What is the InChIKey of (1-naphthalen-2-ylethylideneamino) acetate?
The InChIKey is NUGWOEZELSTUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(15-17-11(2)16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9H,1-2H3.
What are the key properties of (1-naphthalen-2-ylethylideneamino) acetate?
(1-naphthalen-2-ylethylideneamino) acetate has a molecular weight of 227.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylethylideneamino) acetate is sourced from PubChem (CID 54130886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).