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

C13H18N2O — CID 72562457

IUPAC1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
SMILESCN1CCCC1C=NOCc1ccccc1
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
InChIKeyOZSIGQXBCXELAR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.28
Rot. Bonds4

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

1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine (PubChem CID 72562457) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
PubChem CID72562457
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
SMILESCN1CCCC1C=NOCc1ccccc1
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
InChIKeyOZSIGQXBCXELAR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine (CID 72562457) is 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine is CN1CCCC1C=NOCc1ccccc1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
The InChIKey is OZSIGQXBCXELAR-UHFFFAOYSA-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.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine?
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 1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 72562457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).