azido-(2-ethenylphenyl)methanolate

C9H8N3O- — CID 138980156

IUPACazido-(2-ethenylphenyl)methanolate
SMILESC=Cc1ccccc1C([O-])N=[N+]=[N-]
InChIInChI=1S/C9H8N3O/c1-2-7-5-3-4-6-8(7)9(13)11-12-10/h2-6,9H,1H2/q-1
InChIKeyJHBMQEONOSINPH-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.00
Rot. Bonds3

About azido-(2-ethenylphenyl)methanolate

azido-(2-ethenylphenyl)methanolate (PubChem CID 138980156) has the molecular formula C9H8N3O- and a molecular weight of 174.18 g/mol. Its IUPAC name is azido-(2-ethenylphenyl)methanolate.

Molecular Properties

Compound Nameazido-(2-ethenylphenyl)methanolate
PubChem CID138980156
Molecular FormulaC9H8N3O-
Molecular Weight174.18 g/mol
Exact Mass174.07
IUPAC Nameazido-(2-ethenylphenyl)methanolate
SMILESC=Cc1ccccc1C([O-])N=[N+]=[N-]
InChIInChI=1S/C9H8N3O/c1-2-7-5-3-4-6-8(7)9(13)11-12-10/h2-6,9H,1H2/q-1
InChIKeyJHBMQEONOSINPH-UHFFFAOYSA-N
XLogP2.00
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(2-(Aminomethyl)phenyl)methanol
CID 11275036
(2-(Aminomethyl)phenyl)methanol hydrochloride
CID 12504716
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
2,5-Diphenyl-2,5-dihydro-1,3,4-oxadiazole
CID 456811
Azido-[2-(3,3,3-trifluoropropyl)phenyl]methanolate
CID 138980318
1-Benzyl-2-(benzyloxy)diazene 1-oxide
CID 5333047
N-Benzyl-N-(benzyloxy)nitrous amide
CID 10879302
Methoxy benzyl azide
CID 11217423
Benzene, [azido(phenylmethoxy)methyl]-
CID 11287883
[2-(Azidomethyl)phenyl]methanol
CID 11378674
(E)-benzyl-oxido-phenylmethoxyiminoazanium
CID 5405690

Frequently Asked Questions

What is the IUPAC name of azido-(2-ethenylphenyl)methanolate?
The IUPAC name of azido-(2-ethenylphenyl)methanolate (CID 138980156) is azido-(2-ethenylphenyl)methanolate.
What is the SMILES notation for azido-(2-ethenylphenyl)methanolate?
The canonical SMILES for azido-(2-ethenylphenyl)methanolate is C=Cc1ccccc1C([O-])N=[N+]=[N-].
What is the InChIKey of azido-(2-ethenylphenyl)methanolate?
The InChIKey is JHBMQEONOSINPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3O/c1-2-7-5-3-4-6-8(7)9(13)11-12-10/h2-6,9H,1H2/q-1.
What are the key properties of azido-(2-ethenylphenyl)methanolate?
azido-(2-ethenylphenyl)methanolate has a molecular weight of 174.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azido-(2-ethenylphenyl)methanolate is sourced from PubChem (CID 138980156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).