ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate

C16H13NO3 — CID 5400198

IUPACethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
InChIInChI=1S/C16H13NO3/c1-2-20-16(18)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)17-19/h3-9,19H,2H2,1H3/b17-15-
InChIKeyYPCNWPJSHMBZDB-ICFOKQHNSA-N
MW267.28 g/mol
LogP3.07
Rot. Bonds2

About ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate

ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate (PubChem CID 5400198) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate.

Molecular Properties

Compound Nameethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate
PubChem CID5400198
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Nameethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
InChIInChI=1S/C16H13NO3/c1-2-20-16(18)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)17-19/h3-9,19H,2H2,1H3/b17-15-
InChIKeyYPCNWPJSHMBZDB-ICFOKQHNSA-N
XLogP3.07
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate 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 ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
The IUPAC name of ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate (CID 5400198) is ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate.
What is the SMILES notation for ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
The canonical SMILES for ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate is CCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O.
What is the InChIKey of ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
The InChIKey is YPCNWPJSHMBZDB-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-20-16(18)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)17-19/h3-9,19H,2H2,1H3/b17-15-.
What are the key properties of ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate is sourced from PubChem (CID 5400198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).