(2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone

C20H22N2O2 — CID 11034628

IUPAC(2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone
SMILESCOC[C@@H]1CCCN1/N=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-24-15-18-13-8-14-22(18)21-19(16-9-4-2-5-10-16)20(23)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/b21-19-/t18-/m0/s1
InChIKeyZCKSGIYTBMKOTJ-GRNWLOBZSA-N
MW322.41 g/mol
LogP3.38
Rot. Bonds6

About (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone

(2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone (PubChem CID 11034628) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone
PubChem CID11034628
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone
SMILESCOC[C@@H]1CCCN1/N=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-24-15-18-13-8-14-22(18)21-19(16-9-4-2-5-10-16)20(23)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/b21-19-/t18-/m0/s1
InChIKeyZCKSGIYTBMKOTJ-GRNWLOBZSA-N
XLogP3.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone (CID 11034628) is (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone is COC[C@@H]1CCCN1/N=C(\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone?
The InChIKey is ZCKSGIYTBMKOTJ-GRNWLOBZSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-15-18-13-8-14-22(18)21-19(16-9-4-2-5-10-16)20(23)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/b21-19-/t18-/m0/s1.
What are the key properties of (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone?
(2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone has a molecular weight of 322.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,2-diphenylethanone is sourced from PubChem (CID 11034628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).