4,5-diaminofluoren-9-one

C13H10N2O — CID 5101056

IUPAC4,5-diaminofluoren-9-one
SMILESNc1cccc2c1-c1c(N)cccc1C2=O
InChIInChI=1S/C13H10N2O/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15/h1-6H,14-15H2
InChIKeyQMRQBHRUQRRJCX-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.06
Rot. Bonds

About 4,5-diaminofluoren-9-one

4,5-diaminofluoren-9-one (PubChem CID 5101056) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4,5-diaminofluoren-9-one.

Molecular Properties

Compound Name4,5-diaminofluoren-9-one
PubChem CID5101056
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4,5-diaminofluoren-9-one
SMILESNc1cccc2c1-c1c(N)cccc1C2=O
InChIInChI=1S/C13H10N2O/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15/h1-6H,14-15H2
InChIKeyQMRQBHRUQRRJCX-UHFFFAOYSA-N
XLogP2.06
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4,5-diaminofluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-diaminofluoren-9-one?
The IUPAC name of 4,5-diaminofluoren-9-one (CID 5101056) is 4,5-diaminofluoren-9-one.
What is the SMILES notation for 4,5-diaminofluoren-9-one?
The canonical SMILES for 4,5-diaminofluoren-9-one is Nc1cccc2c1-c1c(N)cccc1C2=O.
What is the InChIKey of 4,5-diaminofluoren-9-one?
The InChIKey is QMRQBHRUQRRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15/h1-6H,14-15H2.
What are the key properties of 4,5-diaminofluoren-9-one?
4,5-diaminofluoren-9-one has a molecular weight of 210.24 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diaminofluoren-9-one is sourced from PubChem (CID 5101056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).