(9H-fluoren-1-ylamino) acetate

C15H13NO2 — CID 18186105

IUPAC(9H-fluoren-1-ylamino) acetate
SMILESCC(=O)ONc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H13NO2/c1-10(17)18-16-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15/h2-8,16H,9H2,1H3
InChIKeyHUJCKSIXJJPMJU-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.15
Rot. Bonds2

About (9H-fluoren-1-ylamino) acetate

(9H-fluoren-1-ylamino) acetate (PubChem CID 18186105) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (9H-fluoren-1-ylamino) acetate.

Molecular Properties

Compound Name(9H-fluoren-1-ylamino) acetate
PubChem CID18186105
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(9H-fluoren-1-ylamino) acetate
SMILESCC(=O)ONc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H13NO2/c1-10(17)18-16-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15/h2-8,16H,9H2,1H3
InChIKeyHUJCKSIXJJPMJU-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-aminofluorene
CID 5895
Fluoren-1-amine
CID 22817
4-Aminofluorene
CID 23488
4-Nitrofluorene
CID 146910
1-Amino-7-nitrofluorene
CID 47726
1-Nitrofluorene
CID 179392
9H-Fluoren-2-amine, N-(acetyloxy)-
CID 149047
N-acetoxybenzidine
CID 129827299
9H-Fluorene-2,5-diamine
CID 81518
N-acetoxy-1,1'-biphenyl-4-amine
CID 189661
Acetohydroxamic acid, N-fluoren-1-yl-
CID 31097
N-Fluoren-4-ylacetohydroxamic acid
CID 168033

Frequently Asked Questions

What is the IUPAC name of (9H-fluoren-1-ylamino) acetate?
The IUPAC name of (9H-fluoren-1-ylamino) acetate (CID 18186105) is (9H-fluoren-1-ylamino) acetate.
What is the SMILES notation for (9H-fluoren-1-ylamino) acetate?
The canonical SMILES for (9H-fluoren-1-ylamino) acetate is CC(=O)ONc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of (9H-fluoren-1-ylamino) acetate?
The InChIKey is HUJCKSIXJJPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(17)18-16-15-8-4-7-13-12-6-3-2-5-11(12)9-14(13)15/h2-8,16H,9H2,1H3.
What are the key properties of (9H-fluoren-1-ylamino) acetate?
(9H-fluoren-1-ylamino) acetate has a molecular weight of 239.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9H-fluoren-1-ylamino) acetate is sourced from PubChem (CID 18186105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).