4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine

C12H17N3O3 — CID 19909421

IUPAC4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine
SMILESCOC1=CC(N2CCOCC2)C(OC)=CC1=[N+]=[N-]
InChIInChI=1S/C12H17N3O3/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13/h7-8,10H,3-6H2,1-2H3
InChIKeyXGNAZFACYHDVIW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.43
Rot. Bonds3

About 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine

4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine (PubChem CID 19909421) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine
PubChem CID19909421
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine
SMILESCOC1=CC(N2CCOCC2)C(OC)=CC1=[N+]=[N-]
InChIInChI=1S/C12H17N3O3/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13/h7-8,10H,3-6H2,1-2H3
InChIKeyXGNAZFACYHDVIW-UHFFFAOYSA-N
XLogP0.43
TPSA67.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.43
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-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine?
The IUPAC name of 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine (CID 19909421) is 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine is COC1=CC(N2CCOCC2)C(OC)=CC1=[N+]=[N-].
What is the InChIKey of 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine?
The InChIKey is XGNAZFACYHDVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine?
4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine has a molecular weight of 251.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diazo-2,5-dimethoxycyclohexa-2,5-dien-1-yl)morpholine is sourced from PubChem (CID 19909421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).