zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride

C10H13Cl2N3OZn — CID 159643901

IUPACzinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=C1C=CC(N2CCOCC2)=CC1.[Zn+2]
InChIInChI=1S/C10H13N3O.2ClH.Zn/c11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;;;/h1,3-4H,2,5-8H2;2*1H;/q;;;+2/p-2
InChIKeyMQSAHXFIRFKOQA-UHFFFAOYSA-L
MW327.53 g/mol
LogP-5.16
Rot. Bonds1

About zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride

zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride (PubChem CID 159643901) has the molecular formula C10H13Cl2N3OZn and a molecular weight of 327.53 g/mol. Its IUPAC name is zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride.

Molecular Properties

Compound Namezinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride
PubChem CID159643901
Molecular FormulaC10H13Cl2N3OZn
Molecular Weight327.53 g/mol
Exact Mass324.97
IUPAC Namezinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=C1C=CC(N2CCOCC2)=CC1.[Zn+2]
InChIInChI=1S/C10H13N3O.2ClH.Zn/c11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;;;/h1,3-4H,2,5-8H2;2*1H;/q;;;+2/p-2
InChIKeyMQSAHXFIRFKOQA-UHFFFAOYSA-L
XLogP-5.16
TPSA48.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 5-5.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride?
The IUPAC name of zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride (CID 159643901) is zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride.
What is the SMILES notation for zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride?
The canonical SMILES for zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride is [Cl-].[Cl-].[N-]=[N+]=C1C=CC(N2CCOCC2)=CC1.[Zn+2].
What is the InChIKey of zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride?
The InChIKey is MQSAHXFIRFKOQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13N3O.2ClH.Zn/c11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;;;/h1,3-4H,2,5-8H2;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride?
zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride has a molecular weight of 327.53 g/mol, XLogP of -5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-(4-diazocyclohexa-1,5-dien-1-yl)morpholine;dichloride is sourced from PubChem (CID 159643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).