2-diazoacenaphthylen-1-one

C12H6N2O — CID 4130567

IUPAC2-diazoacenaphthylen-1-one
SMILES[N-]=[N+]=C1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H6N2O/c13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15/h1-6H
InChIKeyVJAKCISTGXSALV-UHFFFAOYSA-N
MW194.19 g/mol
LogP2.06
Rot. Bonds

About 2-diazoacenaphthylen-1-one

2-diazoacenaphthylen-1-one (PubChem CID 4130567) has the molecular formula C12H6N2O and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-diazoacenaphthylen-1-one.

Molecular Properties

Compound Name2-diazoacenaphthylen-1-one
PubChem CID4130567
Molecular FormulaC12H6N2O
Molecular Weight194.19 g/mol
Exact Mass194.05
IUPAC Name2-diazoacenaphthylen-1-one
SMILES[N-]=[N+]=C1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H6N2O/c13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15/h1-6H
InChIKeyVJAKCISTGXSALV-UHFFFAOYSA-N
XLogP2.06
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', '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 2-diazoacenaphthylen-1-one?
The IUPAC name of 2-diazoacenaphthylen-1-one (CID 4130567) is 2-diazoacenaphthylen-1-one.
What is the SMILES notation for 2-diazoacenaphthylen-1-one?
The canonical SMILES for 2-diazoacenaphthylen-1-one is [N-]=[N+]=C1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-diazoacenaphthylen-1-one?
The InChIKey is VJAKCISTGXSALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O/c13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15/h1-6H.
What are the key properties of 2-diazoacenaphthylen-1-one?
2-diazoacenaphthylen-1-one has a molecular weight of 194.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazoacenaphthylen-1-one is sourced from PubChem (CID 4130567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).