4-diazo-3-methoxycyclohex-2-en-1-imine

C7H9N3O — CID 91282468

IUPAC4-diazo-3-methoxycyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(OC)C(=[N+]=[N-])CC1
InChIInChI=1S/C7H9N3O/c1-11-7-4-5(8)2-3-6(7)10-9/h4,8H,2-3H2,1H3/b8-5+
InChIKeyGEFQRKKZWIDTDE-VMPITWQZSA-N
MW151.17 g/mol
LogP1.00
Rot. Bonds1

About 4-diazo-3-methoxycyclohex-2-en-1-imine

4-diazo-3-methoxycyclohex-2-en-1-imine (PubChem CID 91282468) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-diazo-3-methoxycyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-diazo-3-methoxycyclohex-2-en-1-imine
PubChem CID91282468
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-diazo-3-methoxycyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(OC)C(=[N+]=[N-])CC1
InChIInChI=1S/C7H9N3O/c1-11-7-4-5(8)2-3-6(7)10-9/h4,8H,2-3H2,1H3/b8-5+
InChIKeyGEFQRKKZWIDTDE-VMPITWQZSA-N
XLogP1.00
TPSA69.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-diazo-2-methoxy-N-methylcyclohex-2-en-1-imine
CID 56995460
4-Diazo-3-ethoxycyclohex-2-en-1-imine
CID 57059126
4-Diazo-3-propoxycyclohex-2-en-1-imine
CID 57309972
2-Methoxycyclohex-2-en-1-imine
CID 123417114
3-Methoxycyclohept-3-ene-1,2-diimine
CID 123698330
4-Methoxycyclohex-3-ene-1,2-diimine
CID 145321311

Frequently Asked Questions

What is the IUPAC name of 4-diazo-3-methoxycyclohex-2-en-1-imine?
The IUPAC name of 4-diazo-3-methoxycyclohex-2-en-1-imine (CID 91282468) is 4-diazo-3-methoxycyclohex-2-en-1-imine.
What is the SMILES notation for 4-diazo-3-methoxycyclohex-2-en-1-imine?
The canonical SMILES for 4-diazo-3-methoxycyclohex-2-en-1-imine is [H]/N=C1/C=C(OC)C(=[N+]=[N-])CC1.
What is the InChIKey of 4-diazo-3-methoxycyclohex-2-en-1-imine?
The InChIKey is GEFQRKKZWIDTDE-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9N3O/c1-11-7-4-5(8)2-3-6(7)10-9/h4,8H,2-3H2,1H3/b8-5+.
What are the key properties of 4-diazo-3-methoxycyclohex-2-en-1-imine?
4-diazo-3-methoxycyclohex-2-en-1-imine has a molecular weight of 151.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-3-methoxycyclohex-2-en-1-imine is sourced from PubChem (CID 91282468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).