1-cyclopentyl-N-imidazol-1-yloxymethanimine

C9H13N3O — CID 54463759

IUPAC1-cyclopentyl-N-imidazol-1-yloxymethanimine
SMILESC(=NOn1ccnc1)C1CCCC1
InChIInChI=1S/C9H13N3O/c1-2-4-9(3-1)7-11-13-12-6-5-10-8-12/h5-9H,1-4H2
InChIKeyXDKSJGOHPWKRIJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.49
Rot. Bonds3

About 1-cyclopentyl-N-imidazol-1-yloxymethanimine

1-cyclopentyl-N-imidazol-1-yloxymethanimine (PubChem CID 54463759) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-cyclopentyl-N-imidazol-1-yloxymethanimine.

Molecular Properties

Compound Name1-cyclopentyl-N-imidazol-1-yloxymethanimine
PubChem CID54463759
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-cyclopentyl-N-imidazol-1-yloxymethanimine
SMILESC(=NOn1ccnc1)C1CCCC1
InChIInChI=1S/C9H13N3O/c1-2-4-9(3-1)7-11-13-12-6-5-10-8-12/h5-9H,1-4H2
InChIKeyXDKSJGOHPWKRIJ-UHFFFAOYSA-N
XLogP1.49
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-imidazol-1-yloxymethanimine?
The IUPAC name of 1-cyclopentyl-N-imidazol-1-yloxymethanimine (CID 54463759) is 1-cyclopentyl-N-imidazol-1-yloxymethanimine.
What is the SMILES notation for 1-cyclopentyl-N-imidazol-1-yloxymethanimine?
The canonical SMILES for 1-cyclopentyl-N-imidazol-1-yloxymethanimine is C(=NOn1ccnc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-imidazol-1-yloxymethanimine?
The InChIKey is XDKSJGOHPWKRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-4-9(3-1)7-11-13-12-6-5-10-8-12/h5-9H,1-4H2.
What are the key properties of 1-cyclopentyl-N-imidazol-1-yloxymethanimine?
1-cyclopentyl-N-imidazol-1-yloxymethanimine has a molecular weight of 179.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-imidazol-1-yloxymethanimine is sourced from PubChem (CID 54463759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).