zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine

C14H22ClN3O3Zn+2 — CID 20509489

IUPACzinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine
SMILESC1COCCN1.CCOC1=CC(Cl)C(OCC)=CC1=[N+]=[N-].[Zn+2]
InChIInChI=1S/C10H13ClN2O2.C4H9NO.Zn/c1-3-14-9-6-8(13-12)10(15-4-2)5-7(9)11;1-3-6-4-2-5-1;/h5-7H,3-4H2,1-2H3;5H,1-4H2;/q;;+2
InChIKeyMFTNRXJSFQPTEV-UHFFFAOYSA-N
MW381.19 g/mol
LogP1.72
Rot. Bonds4

About zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine

zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine (PubChem CID 20509489) has the molecular formula C14H22ClN3O3Zn+2 and a molecular weight of 381.19 g/mol. Its IUPAC name is zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine.

Molecular Properties

Compound Namezinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine
PubChem CID20509489
Molecular FormulaC14H22ClN3O3Zn+2
Molecular Weight381.19 g/mol
Exact Mass379.06
IUPAC Namezinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine
SMILESC1COCCN1.CCOC1=CC(Cl)C(OCC)=CC1=[N+]=[N-].[Zn+2]
InChIInChI=1S/C10H13ClN2O2.C4H9NO.Zn/c1-3-14-9-6-8(13-12)10(15-4-2)5-7(9)11;1-3-6-4-2-5-1;/h5-7H,3-4H2,1-2H3;5H,1-4H2;/q;;+2
InChIKeyMFTNRXJSFQPTEV-UHFFFAOYSA-N
XLogP1.72
TPSA76.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine?
The IUPAC name of zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine (CID 20509489) is zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine.
What is the SMILES notation for zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine?
The canonical SMILES for zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine is C1COCCN1.CCOC1=CC(Cl)C(OCC)=CC1=[N+]=[N-].[Zn+2].
What is the InChIKey of zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine?
The InChIKey is MFTNRXJSFQPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2.C4H9NO.Zn/c1-3-14-9-6-8(13-12)10(15-4-2)5-7(9)11;1-3-6-4-2-5-1;/h5-7H,3-4H2,1-2H3;5H,1-4H2;/q;;+2.
What are the key properties of zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine?
zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine has a molecular weight of 381.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-chloro-6-diazo-1,4-diethoxycyclohexa-1,4-diene;morpholine is sourced from PubChem (CID 20509489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).