(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine

C11H14N2O — CID 10058347

IUPAC(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
SMILESC#C/C=C/CO/N=C1\CN2CCC1C2
InChIInChI=1S/C11H14N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,3-4,10H,5-9H2/b4-3+,12-11+
InChIKeyPNGMPCNVGUFXDA-NEVCXRMESA-N
MW190.25 g/mol
LogP0.88
Rot. Bonds3

About (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine

(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine (PubChem CID 10058347) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
PubChem CID10058347
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
SMILESC#C/C=C/CO/N=C1\CN2CCC1C2
InChIInChI=1S/C11H14N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,3-4,10H,5-9H2/b4-3+,12-11+
InChIKeyPNGMPCNVGUFXDA-NEVCXRMESA-N
XLogP0.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine?
The IUPAC name of (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine (CID 10058347) is (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine.
What is the SMILES notation for (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine?
The canonical SMILES for (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine is C#C/C=C/CO/N=C1\CN2CCC1C2.
What is the InChIKey of (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine?
The InChIKey is PNGMPCNVGUFXDA-NEVCXRMESA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,3-4,10H,5-9H2/b4-3+,12-11+.
What are the key properties of (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine?
(Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine has a molecular weight of 190.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-pent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine is sourced from PubChem (CID 10058347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).