(9E)-9-hydroxyiminofluorene-1-carboxylic acid

C14H9NO3 — CID 5381804

IUPAC(9E)-9-hydroxyiminofluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1/C(=N/O)c1ccccc1-2
InChIInChI=1S/C14H9NO3/c16-14(17)11-7-3-6-9-8-4-1-2-5-10(8)13(15-18)12(9)11/h1-7,18H,(H,16,17)/b15-13+
InChIKeyUQMFETDKXJWZDS-FYWRMAATSA-N
MW239.23 g/mol
LogP2.59
Rot. Bonds1

About (9E)-9-hydroxyiminofluorene-1-carboxylic acid

(9E)-9-hydroxyiminofluorene-1-carboxylic acid (PubChem CID 5381804) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is (9E)-9-hydroxyiminofluorene-1-carboxylic acid.

Molecular Properties

Compound Name(9E)-9-hydroxyiminofluorene-1-carboxylic acid
PubChem CID5381804
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name(9E)-9-hydroxyiminofluorene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1/C(=N/O)c1ccccc1-2
InChIInChI=1S/C14H9NO3/c16-14(17)11-7-3-6-9-8-4-1-2-5-10(8)13(15-18)12(9)11/h1-7,18H,(H,16,17)/b15-13+
InChIKeyUQMFETDKXJWZDS-FYWRMAATSA-N
XLogP2.59
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (9E)-9-hydroxyiminofluorene-1-carboxylic acid?
The IUPAC name of (9E)-9-hydroxyiminofluorene-1-carboxylic acid (CID 5381804) is (9E)-9-hydroxyiminofluorene-1-carboxylic acid.
What is the SMILES notation for (9E)-9-hydroxyiminofluorene-1-carboxylic acid?
The canonical SMILES for (9E)-9-hydroxyiminofluorene-1-carboxylic acid is O=C(O)c1cccc2c1/C(=N/O)c1ccccc1-2.
What is the InChIKey of (9E)-9-hydroxyiminofluorene-1-carboxylic acid?
The InChIKey is UQMFETDKXJWZDS-FYWRMAATSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14(17)11-7-3-6-9-8-4-1-2-5-10(8)13(15-18)12(9)11/h1-7,18H,(H,16,17)/b15-13+.
What are the key properties of (9E)-9-hydroxyiminofluorene-1-carboxylic acid?
(9E)-9-hydroxyiminofluorene-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-hydroxyiminofluorene-1-carboxylic acid is sourced from PubChem (CID 5381804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).