(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine

C13H18N2O — CID 59788102

IUPAC(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
SMILESCN1CCCC1/C=N/OCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-15-9-5-8-13(15)10-14-16-11-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/b14-10+
InChIKeyOZSIGQXBCXELAR-GXDHUFHOSA-N
MW218.30 g/mol
LogP2.28
Rot. Bonds4

About (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine

(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine (PubChem CID 59788102) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
PubChem CID59788102
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
SMILESCN1CCCC1/C=N/OCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-15-9-5-8-13(15)10-14-16-11-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/b14-10+
InChIKeyOZSIGQXBCXELAR-GXDHUFHOSA-N
XLogP2.28
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
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

8-methyl-8-azabicyclo[3.2.1]octan-3-one O-benzhydryloxime
CID 3440230
(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 10948221
8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 46881758
Pentanal O-benzyloxime
CID 9602269
(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
CID 162414091
(E)-N-phenylmethoxypropan-1-imine
CID 11789542
n-butyraldehyde-O-benzyloxime
CID 129775686
(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine
CID 24862399
hex-anal-O-benzyloxime
CID 85980230
N-methylpiperidin-4-one-O-benzyloxime
CID 129840518
(2R,3R,5S)-2-but-3-enyl-3-ethenyl-2-methyl-5-phenyl-1,2-oxazolidin-2-ium
CID 134856200
(1S,2S)-1-[(E)-ethylideneamino]oxy-N,N-dimethyl-1-phenylpropan-2-amine
CID 134896871

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine (CID 59788102) is (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine is CN1CCCC1/C=N/OCc1ccccc1.
What is the InChIKey of (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
The InChIKey is OZSIGQXBCXELAR-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-9-5-8-13(15)10-14-16-11-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/b14-10+.
What are the key properties of (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine has a molecular weight of 218.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 59788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).