N-benzyl-1-(oxolan-2-yl)methanimine oxide

C12H15NO2 — CID 10398033

IUPACN-benzyl-1-(oxolan-2-yl)methanimine oxide
SMILES[O-]/[N+](=C\C1CCCO1)Cc1ccccc1
InChIInChI=1S/C12H15NO2/c14-13(10-12-7-4-8-15-12)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/b13-10-
InChIKeyDKKMURUTKNXZJN-RAXLEYEMSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds3

About N-benzyl-1-(oxolan-2-yl)methanimine oxide

N-benzyl-1-(oxolan-2-yl)methanimine oxide (PubChem CID 10398033) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-benzyl-1-(oxolan-2-yl)methanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-(oxolan-2-yl)methanimine oxide
PubChem CID10398033
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-benzyl-1-(oxolan-2-yl)methanimine oxide
SMILES[O-]/[N+](=C\C1CCCO1)Cc1ccccc1
InChIInChI=1S/C12H15NO2/c14-13(10-12-7-4-8-15-12)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/b13-10-
InChIKeyDKKMURUTKNXZJN-RAXLEYEMSA-N
XLogP1.95
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(oxolan-2-yl)methanimine oxide?
The IUPAC name of N-benzyl-1-(oxolan-2-yl)methanimine oxide (CID 10398033) is N-benzyl-1-(oxolan-2-yl)methanimine oxide.
What is the SMILES notation for N-benzyl-1-(oxolan-2-yl)methanimine oxide?
The canonical SMILES for N-benzyl-1-(oxolan-2-yl)methanimine oxide is [O-]/[N+](=C\C1CCCO1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(oxolan-2-yl)methanimine oxide?
The InChIKey is DKKMURUTKNXZJN-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H15NO2/c14-13(10-12-7-4-8-15-12)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/b13-10-.
What are the key properties of N-benzyl-1-(oxolan-2-yl)methanimine oxide?
N-benzyl-1-(oxolan-2-yl)methanimine oxide has a molecular weight of 205.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(oxolan-2-yl)methanimine oxide is sourced from PubChem (CID 10398033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).