(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one

C22H25NO2 — CID 10065548

IUPAC(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one
SMILESCOC[C@@H]1CCCN1C/C(=C\c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-25-17-21-13-8-14-23(21)16-20(15-18-9-4-2-5-10-18)22(24)19-11-6-3-7-12-19/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3/b20-15+/t21-/m0/s1
InChIKeyFOGDDVXZOFEKAB-MEPUESOJSA-N
MW335.45 g/mol
LogP4.06
Rot. Bonds7

About (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one

(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one (PubChem CID 10065548) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one
PubChem CID10065548
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one
SMILESCOC[C@@H]1CCCN1C/C(=C\c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-25-17-21-13-8-14-23(21)16-20(15-18-9-4-2-5-10-18)22(24)19-11-6-3-7-12-19/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3/b20-15+/t21-/m0/s1
InChIKeyFOGDDVXZOFEKAB-MEPUESOJSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one (CID 10065548) is (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one is COC[C@@H]1CCCN1C/C(=C\c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one?
The InChIKey is FOGDDVXZOFEKAB-MEPUESOJSA-N. The full InChI is InChI=1S/C22H25NO2/c1-25-17-21-13-8-14-23(21)16-20(15-18-9-4-2-5-10-18)22(24)19-11-6-3-7-12-19/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3/b20-15+/t21-/m0/s1.
What are the key properties of (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one?
(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one has a molecular weight of 335.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 10065548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).