diazomethanone;quinoline

C10H7N3O — CID 87207818

IUPACdiazomethanone;quinoline
SMILES[N-]=[N+]=C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.CN2O/c1-2-6-9-8(4-1)5-3-7-10-9;2-3-1-4/h1-7H;
InChIKeyHSJNRCOUFMURIE-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.79
Rot. Bonds

About diazomethanone;quinoline

diazomethanone;quinoline (PubChem CID 87207818) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is diazomethanone;quinoline.

Molecular Properties

Compound Namediazomethanone;quinoline
PubChem CID87207818
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Namediazomethanone;quinoline
SMILES[N-]=[N+]=C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.CN2O/c1-2-6-9-8(4-1)5-3-7-10-9;2-3-1-4/h1-7H;
InChIKeyHSJNRCOUFMURIE-UHFFFAOYSA-N
XLogP1.79
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

quinoline
CID 76974643
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
ethene;formaldehyde;quinoline
CID 142226527
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759
quinoline;hydrochloride;hydroiodide
CID 161378453
CID 174859636
CID 174859636

Frequently Asked Questions

What is the IUPAC name of diazomethanone;quinoline?
The IUPAC name of diazomethanone;quinoline (CID 87207818) is diazomethanone;quinoline.
What is the SMILES notation for diazomethanone;quinoline?
The canonical SMILES for diazomethanone;quinoline is [N-]=[N+]=C=O.c1ccc2ncccc2c1.
What is the InChIKey of diazomethanone;quinoline?
The InChIKey is HSJNRCOUFMURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.CN2O/c1-2-6-9-8(4-1)5-3-7-10-9;2-3-1-4/h1-7H;.
What are the key properties of diazomethanone;quinoline?
diazomethanone;quinoline has a molecular weight of 185.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazomethanone;quinoline is sourced from PubChem (CID 87207818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).