(E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine

C12H16N2O — CID 82396551

IUPAC(E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine
SMILESCO/N=C(\c1ccccc1)C1CCCN1
InChIInChI=1S/C12H16N2O/c1-15-14-12(11-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/b14-12+
InChIKeyXHBIBAJCUFEWGH-WYMLVPIESA-N
MW204.27 g/mol
LogP1.79
Rot. Bonds3

About (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine

(E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine (PubChem CID 82396551) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine
PubChem CID82396551
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine
SMILESCO/N=C(\c1ccccc1)C1CCCN1
InChIInChI=1S/C12H16N2O/c1-15-14-12(11-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/b14-12+
InChIKeyXHBIBAJCUFEWGH-WYMLVPIESA-N
XLogP1.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.79
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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Related Compounds

(2R,5R)-2-benzyl-5-methylpyrrolidine
CID 57205261
(NZ)-N-[2-(cyclohexylamino)-1-phenylethylidene]hydroxylamine
CID 56665902
Phenyl 4-piperidyl ketone oxime
CID 25090357
(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine
CID 87152593
1-[(1S,2S,3S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87679617
1-[(1S,2S,3R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87680091
1-[(1R,2S,3R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87680690
1-[(1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
CID 87682506
1-[(1R,2S,3S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
CID 87682896
1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 89816769
1-(3-azabicyclo[3.1.0]hexan-6-yl)-1-(4-fluorophenyl)-N-methoxymethanimine
CID 89816832
1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-en-2-yl]-N-methoxypropan-1-imine
CID 173135398

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine?
The IUPAC name of (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine (CID 82396551) is (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine.
What is the SMILES notation for (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine?
The canonical SMILES for (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine is CO/N=C(\c1ccccc1)C1CCCN1.
What is the InChIKey of (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine?
The InChIKey is XHBIBAJCUFEWGH-WYMLVPIESA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-14-12(11-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/b14-12+.
What are the key properties of (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine?
(E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine has a molecular weight of 204.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-phenyl-1-pyrrolidin-2-ylmethanimine is sourced from PubChem (CID 82396551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).