2-diazo-1,3-diphenylpropane-1,3-dione

C15H10N2O2 — CID 569580

IUPAC2-diazo-1,3-diphenylpropane-1,3-dione
SMILES[N-]=[N+]=C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H10N2O2/c16-17-13(14(18)11-7-3-1-4-8-11)15(19)12-9-5-2-6-10-12/h1-10H
InChIKeyOOHAJTLMZFITEZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.42
Rot. Bonds4

About 2-diazo-1,3-diphenylpropane-1,3-dione

2-diazo-1,3-diphenylpropane-1,3-dione (PubChem CID 569580) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-diazo-1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name2-diazo-1,3-diphenylpropane-1,3-dione
PubChem CID569580
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-diazo-1,3-diphenylpropane-1,3-dione
SMILES[N-]=[N+]=C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H10N2O2/c16-17-13(14(18)11-7-3-1-4-8-11)15(19)12-9-5-2-6-10-12/h1-10H
InChIKeyOOHAJTLMZFITEZ-UHFFFAOYSA-N
XLogP2.42
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1,3-diphenylpropane-1,3-dione?
The IUPAC name of 2-diazo-1,3-diphenylpropane-1,3-dione (CID 569580) is 2-diazo-1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 2-diazo-1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 2-diazo-1,3-diphenylpropane-1,3-dione is [N-]=[N+]=C(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-diazo-1,3-diphenylpropane-1,3-dione?
The InChIKey is OOHAJTLMZFITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c16-17-13(14(18)11-7-3-1-4-8-11)15(19)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2-diazo-1,3-diphenylpropane-1,3-dione?
2-diazo-1,3-diphenylpropane-1,3-dione has a molecular weight of 250.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 569580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).