(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine

C15H22N2O2 — CID 71653433

IUPAC(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine
SMILESCOc1ccccc1/C=N/OC1CCN(C(C)C)C1
InChIInChI=1S/C15H22N2O2/c1-12(2)17-9-8-14(11-17)19-16-10-13-6-4-5-7-15(13)18-3/h4-7,10,12,14H,8-9,11H2,1-3H3/b16-10+
InChIKeyMXLXMHGMSJFPFU-MHWRWJLKSA-N
MW262.35 g/mol
LogP2.53
Rot. Bonds5

About (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine

(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine (PubChem CID 71653433) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine
PubChem CID71653433
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine
SMILESCOc1ccccc1/C=N/OC1CCN(C(C)C)C1
InChIInChI=1S/C15H22N2O2/c1-12(2)17-9-8-14(11-17)19-16-10-13-6-4-5-7-15(13)18-3/h4-7,10,12,14H,8-9,11H2,1-3H3/b16-10+
InChIKeyMXLXMHGMSJFPFU-MHWRWJLKSA-N
XLogP2.53
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine?
The IUPAC name of (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine (CID 71653433) is (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine.
What is the SMILES notation for (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine?
The canonical SMILES for (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine is COc1ccccc1/C=N/OC1CCN(C(C)C)C1.
What is the InChIKey of (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine?
The InChIKey is MXLXMHGMSJFPFU-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)17-9-8-14(11-17)19-16-10-13-6-4-5-7-15(13)18-3/h4-7,10,12,14H,8-9,11H2,1-3H3/b16-10+.
What are the key properties of (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine?
(E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine has a molecular weight of 262.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oxymethanimine is sourced from PubChem (CID 71653433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).