(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide

C18H18N2O2 — CID 99638212

IUPAC(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2c1-c1ccccc1/C2=N\O
InChIInChI=1S/C18H18N2O2/c1-18(2,3)19-17(21)14-10-6-9-13-15(14)11-7-4-5-8-12(11)16(13)20-22/h4-10,22H,1-3H3,(H,19,21)/b20-16+
InChIKeyLXPISKGWHDDJMR-CAPFRKAQSA-N
MW294.35 g/mol
LogP3.42
Rot. Bonds1

About (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide

(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide (PubChem CID 99638212) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide.

Molecular Properties

Compound Name(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide
PubChem CID99638212
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2c1-c1ccccc1/C2=N\O
InChIInChI=1S/C18H18N2O2/c1-18(2,3)19-17(21)14-10-6-9-13-15(14)11-7-4-5-8-12(11)16(13)20-22/h4-10,22H,1-3H3,(H,19,21)/b20-16+
InChIKeyLXPISKGWHDDJMR-CAPFRKAQSA-N
XLogP3.42
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.42
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)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide?
The IUPAC name of (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide (CID 99638212) is (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide.
What is the SMILES notation for (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide?
The canonical SMILES for (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide is CC(C)(C)NC(=O)c1cccc2c1-c1ccccc1/C2=N\O.
What is the InChIKey of (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide?
The InChIKey is LXPISKGWHDDJMR-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2,3)19-17(21)14-10-6-9-13-15(14)11-7-4-5-8-12(11)16(13)20-22/h4-10,22H,1-3H3,(H,19,21)/b20-16+.
What are the key properties of (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide?
(9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-N-tert-butyl-9-hydroxyiminofluorene-4-carboxamide is sourced from PubChem (CID 99638212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).