4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride

C12H18ClN3O3 — CID 88727714

IUPAC4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride
SMILESCOC1=CC(=[N+]=[N-])C(OC)C=C1N1CCOCC1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;/h7-8,11H,3-6H2,1-2H3;1H
InChIKeyCWBGGXOLWZYDPI-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.85
Rot. Bonds3

About 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride

4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride (PubChem CID 88727714) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride
PubChem CID88727714
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride
SMILESCOC1=CC(=[N+]=[N-])C(OC)C=C1N1CCOCC1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;/h7-8,11H,3-6H2,1-2H3;1H
InChIKeyCWBGGXOLWZYDPI-UHFFFAOYSA-N
XLogP0.85
TPSA67.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride?
The IUPAC name of 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride (CID 88727714) is 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride is COC1=CC(=[N+]=[N-])C(OC)C=C1N1CCOCC1.Cl.
What is the InChIKey of 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride?
The InChIKey is CWBGGXOLWZYDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;/h7-8,11H,3-6H2,1-2H3;1H.
What are the key properties of 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride?
4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diazo-3,6-dimethoxycyclohexa-1,5-dien-1-yl)morpholine;hydrochloride is sourced from PubChem (CID 88727714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).