6-diazo-2-methoxycyclohexa-1,3-diene

C7H8N2O — CID 57138947

IUPAC6-diazo-2-methoxycyclohexa-1,3-diene
SMILESCOC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C7H8N2O/c1-10-7-4-2-3-6(5-7)9-8/h2,4-5H,3H2,1H3
InChIKeyULVCROKRLINNBS-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.15
Rot. Bonds1

About 6-diazo-2-methoxycyclohexa-1,3-diene

6-diazo-2-methoxycyclohexa-1,3-diene (PubChem CID 57138947) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 6-diazo-2-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2-methoxycyclohexa-1,3-diene
PubChem CID57138947
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name6-diazo-2-methoxycyclohexa-1,3-diene
SMILESCOC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C7H8N2O/c1-10-7-4-2-3-6(5-7)9-8/h2,4-5H,3H2,1H3
InChIKeyULVCROKRLINNBS-UHFFFAOYSA-N
XLogP1.15
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.15
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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Related Compounds

o-Diazoanisol
CID 129642107
5-Diazo-2-(trifluoromethoxy)cyclohexa-1,3-diene;hydrochloride
CID 141328986
4-Methoxy-2-oxo-1,2-dihydrobenzen-monoxime
CID 129657620
5-Diazo-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 141328987
6-Diazo-2,5-dimethoxycyclohexa-1,3-diene
CID 20574569
6-Diazo-2,5-diethoxycyclohexa-1,3-diene
CID 20574570
6-Diazo-2-(methoxymethyl)cyclohexa-1,3-diene
CID 21294245
5-Diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
CID 21752680
4-Methoxycyclohexa-2,4-dien-1-imine
CID 22321529
5-Diazo-2-ethoxycyclohexa-1,3-diene
CID 54072613
6-Diazo-1-methoxycyclohexa-1,3-diene
CID 54098263
5-Diazo-2-methoxycyclohexa-1,3-diene
CID 54511007

Frequently Asked Questions

What is the IUPAC name of 6-diazo-2-methoxycyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2-methoxycyclohexa-1,3-diene (CID 57138947) is 6-diazo-2-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2-methoxycyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2-methoxycyclohexa-1,3-diene is COC1=CC(=[N+]=[N-])CC=C1.
What is the InChIKey of 6-diazo-2-methoxycyclohexa-1,3-diene?
The InChIKey is ULVCROKRLINNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-10-7-4-2-3-6(5-7)9-8/h2,4-5H,3H2,1H3.
What are the key properties of 6-diazo-2-methoxycyclohexa-1,3-diene?
6-diazo-2-methoxycyclohexa-1,3-diene has a molecular weight of 136.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 57138947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).