1-diazo-8a,9a-dihydro-4H-fluoren-9-one

C13H10N2O — CID 87376395

IUPAC1-diazo-8a,9a-dihydro-4H-fluoren-9-one
SMILES[N-]=[N+]=C1C=CCC2=C3C=CC=CC3C(=O)C12
InChIInChI=1S/C13H10N2O/c14-15-11-7-3-6-9-8-4-1-2-5-10(8)13(16)12(9)11/h1-5,7,10,12H,6H2
InChIKeyUJFVOCITFITNSG-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.85
Rot. Bonds

About 1-diazo-8a,9a-dihydro-4H-fluoren-9-one

1-diazo-8a,9a-dihydro-4H-fluoren-9-one (PubChem CID 87376395) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-diazo-8a,9a-dihydro-4H-fluoren-9-one.

Molecular Properties

Compound Name1-diazo-8a,9a-dihydro-4H-fluoren-9-one
PubChem CID87376395
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name1-diazo-8a,9a-dihydro-4H-fluoren-9-one
SMILES[N-]=[N+]=C1C=CCC2=C3C=CC=CC3C(=O)C12
InChIInChI=1S/C13H10N2O/c14-15-11-7-3-6-9-8-4-1-2-5-10(8)13(16)12(9)11/h1-5,7,10,12H,6H2
InChIKeyUJFVOCITFITNSG-UHFFFAOYSA-N
XLogP1.85
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-8a,9a-dihydro-4H-fluoren-9-one?
The IUPAC name of 1-diazo-8a,9a-dihydro-4H-fluoren-9-one (CID 87376395) is 1-diazo-8a,9a-dihydro-4H-fluoren-9-one.
What is the SMILES notation for 1-diazo-8a,9a-dihydro-4H-fluoren-9-one?
The canonical SMILES for 1-diazo-8a,9a-dihydro-4H-fluoren-9-one is [N-]=[N+]=C1C=CCC2=C3C=CC=CC3C(=O)C12.
What is the InChIKey of 1-diazo-8a,9a-dihydro-4H-fluoren-9-one?
The InChIKey is UJFVOCITFITNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-15-11-7-3-6-9-8-4-1-2-5-10(8)13(16)12(9)11/h1-5,7,10,12H,6H2.
What are the key properties of 1-diazo-8a,9a-dihydro-4H-fluoren-9-one?
1-diazo-8a,9a-dihydro-4H-fluoren-9-one has a molecular weight of 210.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-8a,9a-dihydro-4H-fluoren-9-one is sourced from PubChem (CID 87376395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).