1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine

C11H14N2O — CID 141193391

IUPAC1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine
SMILESC(=NO[C@@H]1CCNC1)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-4-10(5-3-1)8-13-14-11-6-7-12-9-11/h1-5,8,11-12H,6-7,9H2/t11-/m1/s1
InChIKeyOWZJCGHEJIDMJG-LLVKDONJSA-N
MW190.25 g/mol
LogP1.40
Rot. Bonds3

About 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine

1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine (PubChem CID 141193391) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine
PubChem CID141193391
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine
SMILESC(=NO[C@@H]1CCNC1)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-4-10(5-3-1)8-13-14-11-6-7-12-9-11/h1-5,8,11-12H,6-7,9H2/t11-/m1/s1
InChIKeyOWZJCGHEJIDMJG-LLVKDONJSA-N
XLogP1.40
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine?
The IUPAC name of 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine (CID 141193391) is 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine.
What is the SMILES notation for 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine?
The canonical SMILES for 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine is C(=NO[C@@H]1CCNC1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine?
The InChIKey is OWZJCGHEJIDMJG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-4-10(5-3-1)8-13-14-11-6-7-12-9-11/h1-5,8,11-12H,6-7,9H2/t11-/m1/s1.
What are the key properties of 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine?
1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine has a molecular weight of 190.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3R)-pyrrolidin-3-yl]oxymethanimine is sourced from PubChem (CID 141193391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).