1-[ethyl(hydroxymethyl)amino]fluoren-9-one

C16H15NO2 — CID 165009355

IUPAC1-[ethyl(hydroxymethyl)amino]fluoren-9-one
SMILESCCN(CO)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C16H15NO2/c1-2-17(10-18)14-9-5-8-12-11-6-3-4-7-13(11)16(19)15(12)14/h3-9,18H,2,10H2,1H3
InChIKeyVUAKOWCSCFCLEQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.67
Rot. Bonds3

About 1-[ethyl(hydroxymethyl)amino]fluoren-9-one

1-[ethyl(hydroxymethyl)amino]fluoren-9-one (PubChem CID 165009355) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[ethyl(hydroxymethyl)amino]fluoren-9-one.

Molecular Properties

Compound Name1-[ethyl(hydroxymethyl)amino]fluoren-9-one
PubChem CID165009355
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-[ethyl(hydroxymethyl)amino]fluoren-9-one
SMILESCCN(CO)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C16H15NO2/c1-2-17(10-18)14-9-5-8-12-11-6-3-4-7-13(11)16(19)15(12)14/h3-9,18H,2,10H2,1H3
InChIKeyVUAKOWCSCFCLEQ-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.67
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 1-[ethyl(hydroxymethyl)amino]fluoren-9-one?
The IUPAC name of 1-[ethyl(hydroxymethyl)amino]fluoren-9-one (CID 165009355) is 1-[ethyl(hydroxymethyl)amino]fluoren-9-one.
What is the SMILES notation for 1-[ethyl(hydroxymethyl)amino]fluoren-9-one?
The canonical SMILES for 1-[ethyl(hydroxymethyl)amino]fluoren-9-one is CCN(CO)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 1-[ethyl(hydroxymethyl)amino]fluoren-9-one?
The InChIKey is VUAKOWCSCFCLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-17(10-18)14-9-5-8-12-11-6-3-4-7-13(11)16(19)15(12)14/h3-9,18H,2,10H2,1H3.
What are the key properties of 1-[ethyl(hydroxymethyl)amino]fluoren-9-one?
1-[ethyl(hydroxymethyl)amino]fluoren-9-one has a molecular weight of 253.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(hydroxymethyl)amino]fluoren-9-one is sourced from PubChem (CID 165009355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).