(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine

C8H13N3O — CID 59340385

IUPAC(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1nccn1C
InChIInChI=1S/C8H13N3O/c1-7(2)12-10-6-8-9-4-5-11(8)3/h4-7H,1-3H3/b10-6+
InChIKeyGNXMIOKVTVEUKX-UXBLZVDNSA-N
MW167.21 g/mol
LogP1.18
Rot. Bonds3

About (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine

(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine (PubChem CID 59340385) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
PubChem CID59340385
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1nccn1C
InChIInChI=1S/C8H13N3O/c1-7(2)12-10-6-8-9-4-5-11(8)3/h4-7H,1-3H3/b10-6+
InChIKeyGNXMIOKVTVEUKX-UXBLZVDNSA-N
XLogP1.18
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.18
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 (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine?
The IUPAC name of (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine (CID 59340385) is (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine.
What is the SMILES notation for (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine?
The canonical SMILES for (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine is CC(C)O/N=C/c1nccn1C.
What is the InChIKey of (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine?
The InChIKey is GNXMIOKVTVEUKX-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(2)12-10-6-8-9-4-5-11(8)3/h4-7H,1-3H3/b10-6+.
What are the key properties of (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine?
(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine has a molecular weight of 167.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine is sourced from PubChem (CID 59340385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).