6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene

C8H10N2O — CID 21294245

IUPAC6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C8H10N2O/c1-11-6-7-3-2-4-8(5-7)10-9/h2-3,5H,4,6H2,1H3
InChIKeyIXRNLWWGIWCCRF-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.19
Rot. Bonds2

About 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene

6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 21294245) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID21294245
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C8H10N2O/c1-11-6-7-3-2-4-8(5-7)10-9/h2-3,5H,4,6H2,1H3
InChIKeyIXRNLWWGIWCCRF-UHFFFAOYSA-N
XLogP1.19
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.19
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'}

Analyze 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

o-Diazoanisol
CID 129642107
6-Diazo-2,5-dimethoxycyclohexa-1,3-diene
CID 20574569
5-Diazo-2-[(4-diazocyclohexa-1,5-dien-1-yl)methoxymethyl]cyclohexa-1,3-diene
CID 21951500
5-Diazo-2-ethoxycyclohexa-1,3-diene
CID 54072613
5-Diazo-2-methoxycyclohexa-1,3-diene
CID 54511007
6-Diazo-2-ethoxycyclohexa-1,3-diene
CID 57095465
6-Diazo-2-methoxycyclohexa-1,3-diene
CID 57138947
N-[1-(3-ethylidene-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)propylideneamino]butan-2-imine
CID 123462990
2-(Methoxymethyl)cyclohexa-2,5-diene-1,4-diimine
CID 144391668
5-Diazo-2-(ethoxymethyl)cyclohexa-1,3-dien-1-amine
CID 153793436
5-Diazo-6-ethoxycyclohexa-1,3-diene
CID 154245909
6-Diazo-5-methoxy-2-methylcyclohexa-1,3-diene
CID 163590336

Frequently Asked Questions

What is the IUPAC name of 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene (CID 21294245) is 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene is COCC1=CC(=[N+]=[N-])CC=C1.
What is the InChIKey of 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is IXRNLWWGIWCCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-11-6-7-3-2-4-8(5-7)10-9/h2-3,5H,4,6H2,1H3.
What are the key properties of 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene?
6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 150.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 21294245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).