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

C15H11NO3 — CID 5405437

IUPACmethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
InChIInChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,18H,1H3/b16-14-
InChIKeyNGVLXRBIJYFIFM-PEZBUJJGSA-N
MW253.26 g/mol
LogP2.68
Rot. Bonds1

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

methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate (PubChem CID 5405437) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate
PubChem CID5405437
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namemethyl (9Z)-9-hydroxyiminofluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
InChIInChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,18H,1H3/b16-14-
InChIKeyNGVLXRBIJYFIFM-PEZBUJJGSA-N
XLogP2.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.68
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
The IUPAC name of methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate (CID 5405437) is methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate.
What is the SMILES notation for methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
The canonical SMILES for methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate is COC(=O)c1cccc2c1-c1ccccc1/C2=N/O.
What is the InChIKey of methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
The InChIKey is NGVLXRBIJYFIFM-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,18H,1H3/b16-14-.
What are the key properties of methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate?
methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9Z)-9-hydroxyiminofluorene-4-carboxylate is sourced from PubChem (CID 5405437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).