(9-aminofluoren-9-yl) acetate

C15H13NO2 — CID 174605373

IUPAC(9-aminofluoren-9-yl) acetate
SMILESCC(=O)OC1(N)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H13NO2/c1-10(17)18-15(16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,16H2,1H3
InChIKeyYNFXJMGYRZPGBY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.39
Rot. Bonds1

About (9-aminofluoren-9-yl) acetate

(9-aminofluoren-9-yl) acetate (PubChem CID 174605373) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (9-aminofluoren-9-yl) acetate.

Molecular Properties

Compound Name(9-aminofluoren-9-yl) acetate
PubChem CID174605373
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(9-aminofluoren-9-yl) acetate
SMILESCC(=O)OC1(N)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H13NO2/c1-10(17)18-15(16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,16H2,1H3
InChIKeyYNFXJMGYRZPGBY-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-aminofluoren-9-yl) acetate?
The IUPAC name of (9-aminofluoren-9-yl) acetate (CID 174605373) is (9-aminofluoren-9-yl) acetate.
What is the SMILES notation for (9-aminofluoren-9-yl) acetate?
The canonical SMILES for (9-aminofluoren-9-yl) acetate is CC(=O)OC1(N)c2ccccc2-c2ccccc21.
What is the InChIKey of (9-aminofluoren-9-yl) acetate?
The InChIKey is YNFXJMGYRZPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(17)18-15(16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,16H2,1H3.
What are the key properties of (9-aminofluoren-9-yl) acetate?
(9-aminofluoren-9-yl) acetate has a molecular weight of 239.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-aminofluoren-9-yl) acetate is sourced from PubChem (CID 174605373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).