2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate

C18H17NO3 — CID 6871377

IUPAC2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate
SMILESCC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O
InChIInChI=1S/C18H17NO3/c1-11(2)10-22-18(20)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)19-21/h3-9,11,21H,10H2,1-2H3/b19-17+
InChIKeyUQSNPQSSKHESRC-HTXNQAPBSA-N
MW295.34 g/mol
LogP3.71
Rot. Bonds3

About 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate

2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate (PubChem CID 6871377) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate
PubChem CID6871377
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate
SMILESCC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O
InChIInChI=1S/C18H17NO3/c1-11(2)10-22-18(20)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)19-21/h3-9,11,21H,10H2,1-2H3/b19-17+
InChIKeyUQSNPQSSKHESRC-HTXNQAPBSA-N
XLogP3.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.71
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 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
The IUPAC name of 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate (CID 6871377) is 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate.
What is the SMILES notation for 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
The canonical SMILES for 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate is CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O.
What is the InChIKey of 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
The InChIKey is UQSNPQSSKHESRC-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(2)10-22-18(20)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)19-21/h3-9,11,21H,10H2,1-2H3/b19-17+.
What are the key properties of 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate?
2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (9E)-9-hydroxyiminofluorene-4-carboxylate is sourced from PubChem (CID 6871377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).