methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate

C14H14N2O3 — CID 118861516

IUPACmethyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate
SMILES[H]/N=C/ONc1ccc2ccc(CC(=O)OC)cc2c1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)7-10-2-3-11-4-5-13(16-19-9-15)8-12(11)6-10/h2-6,8-9,15-16H,7H2,1H3/b15-9+
InChIKeyYVNPEMKFGANUBM-OQLLNIDSSA-N
MW258.28 g/mol
LogP2.51
Rot. Bonds5

About methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate

methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate (PubChem CID 118861516) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate
PubChem CID118861516
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate
SMILES[H]/N=C/ONc1ccc2ccc(CC(=O)OC)cc2c1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)7-10-2-3-11-4-5-13(16-19-9-15)8-12(11)6-10/h2-6,8-9,15-16H,7H2,1H3/b15-9+
InChIKeyYVNPEMKFGANUBM-OQLLNIDSSA-N
XLogP2.51
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate?
The IUPAC name of methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate (CID 118861516) is methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate.
What is the SMILES notation for methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate?
The canonical SMILES for methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate is [H]/N=C/ONc1ccc2ccc(CC(=O)OC)cc2c1.
What is the InChIKey of methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate?
The InChIKey is YVNPEMKFGANUBM-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-14(17)7-10-2-3-11-4-5-13(16-19-9-15)8-12(11)6-10/h2-6,8-9,15-16H,7H2,1H3/b15-9+.
What are the key properties of methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate?
methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate has a molecular weight of 258.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate is sourced from PubChem (CID 118861516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).