methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate

C18H19NO4 — CID 19877524

IUPACmethyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate
SMILESCO/N=C(/CCCC(=O)OC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO4/c1-22-17(20)9-5-8-16(19-23-2)18(21)15-11-10-13-6-3-4-7-14(13)12-15/h3-4,6-7,10-12H,5,8-9H2,1-2H3/b19-16-
InChIKeyIHVLITRQDGJGMU-MNDPQUGUSA-N
MW313.35 g/mol
LogP3.37
Rot. Bonds7

About methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate

methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate (PubChem CID 19877524) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate.

Molecular Properties

Compound Namemethyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate
PubChem CID19877524
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate
SMILESCO/N=C(/CCCC(=O)OC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO4/c1-22-17(20)9-5-8-16(19-23-2)18(21)15-11-10-13-6-3-4-7-14(13)12-15/h3-4,6-7,10-12H,5,8-9H2,1-2H3/b19-16-
InChIKeyIHVLITRQDGJGMU-MNDPQUGUSA-N
XLogP3.37
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate?
The IUPAC name of methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate (CID 19877524) is methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate.
What is the SMILES notation for methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate?
The canonical SMILES for methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate is CO/N=C(/CCCC(=O)OC)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate?
The InChIKey is IHVLITRQDGJGMU-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-17(20)9-5-8-16(19-23-2)18(21)15-11-10-13-6-3-4-7-14(13)12-15/h3-4,6-7,10-12H,5,8-9H2,1-2H3/b19-16-.
What are the key properties of methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate?
methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate has a molecular weight of 313.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-5-methoxyimino-6-naphthalen-2-yl-6-oxohexanoate is sourced from PubChem (CID 19877524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).