(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine

C13H18N2O — CID 11024637

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
SMILESCOC[C@@H]1CCCN1/N=C/c1ccccc1
InChIInChI=1S/C13H18N2O/c1-16-11-13-8-5-9-15(13)14-10-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/b14-10+/t13-/m0/s1
InChIKeyYDSNXBOLWHDLSE-LFGHMXSPSA-N
MW218.30 g/mol
LogP2.13
Rot. Bonds4

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine (PubChem CID 11024637) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
PubChem CID11024637
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
SMILESCOC[C@@H]1CCCN1/N=C/c1ccccc1
InChIInChI=1S/C13H18N2O/c1-16-11-13-8-5-9-15(13)14-10-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/b14-10+/t13-/m0/s1
InChIKeyYDSNXBOLWHDLSE-LFGHMXSPSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine (CID 11024637) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine is COC[C@@H]1CCCN1/N=C/c1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
The InChIKey is YDSNXBOLWHDLSE-LFGHMXSPSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-11-13-8-5-9-15(13)14-10-12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/b14-10+/t13-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine has a molecular weight of 218.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 11024637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).