8-diazo-4,9a-dihydroanthracen-1-one

C14H10N2O — CID 173105872

IUPAC8-diazo-4,9a-dihydroanthracen-1-one
SMILES[N-]=[N+]=C1C=CC=C2C=C3CC=CC(=O)C3C=C21
InChIInChI=1S/C14H10N2O/c15-16-13-5-1-3-9-7-10-4-2-6-14(17)12(10)8-11(9)13/h1-3,5-8,12H,4H2
InChIKeyUVWQLKYPUHTVQZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.16
Rot. Bonds

About 8-diazo-4,9a-dihydroanthracen-1-one

8-diazo-4,9a-dihydroanthracen-1-one (PubChem CID 173105872) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 8-diazo-4,9a-dihydroanthracen-1-one.

Molecular Properties

Compound Name8-diazo-4,9a-dihydroanthracen-1-one
PubChem CID173105872
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name8-diazo-4,9a-dihydroanthracen-1-one
SMILES[N-]=[N+]=C1C=CC=C2C=C3CC=CC(=O)C3C=C21
InChIInChI=1S/C14H10N2O/c15-16-13-5-1-3-9-7-10-4-2-6-14(17)12(10)8-11(9)13/h1-3,5-8,12H,4H2
InChIKeyUVWQLKYPUHTVQZ-UHFFFAOYSA-N
XLogP2.16
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.16
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 8-diazo-4,9a-dihydroanthracen-1-one?
The IUPAC name of 8-diazo-4,9a-dihydroanthracen-1-one (CID 173105872) is 8-diazo-4,9a-dihydroanthracen-1-one.
What is the SMILES notation for 8-diazo-4,9a-dihydroanthracen-1-one?
The canonical SMILES for 8-diazo-4,9a-dihydroanthracen-1-one is [N-]=[N+]=C1C=CC=C2C=C3CC=CC(=O)C3C=C21.
What is the InChIKey of 8-diazo-4,9a-dihydroanthracen-1-one?
The InChIKey is UVWQLKYPUHTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-16-13-5-1-3-9-7-10-4-2-6-14(17)12(10)8-11(9)13/h1-3,5-8,12H,4H2.
What are the key properties of 8-diazo-4,9a-dihydroanthracen-1-one?
8-diazo-4,9a-dihydroanthracen-1-one has a molecular weight of 222.25 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diazo-4,9a-dihydroanthracen-1-one is sourced from PubChem (CID 173105872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).