(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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Related Compounds

(3R,4E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,3-diphenylbutan-1-one
CID 11035503
1-[(1S,6R)-5-[(E)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminomethyl]-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]ethanone
CID 177449830
(Z)-N-methoxy-5-(methoxymethyl)-1-methylpyrrolidin-3-imine;4-phenylbenzaldehyde
CID 142847929
(E)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-diphenylprop-2-en-1-one
CID 10065548
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylethanimine
CID 11758645
2-(2,6-Dimethylpiperidin-1-yl)imino-1,2-diphenylethanone
CID 23960497
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine
CID 100975842
(3R,4Z)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1,3-diphenylbutan-1-one
CID 101997664
6-(3-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}phenyl)-2-methylpyridazin-3(2H)-one
CID 122562031
(4R,5E)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-4-phenylpentan-2-one
CID 177471212
2-[(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-C-phenylcarbonimidoyl]cyclopenta-2,4-diene-1-carbaldehyde
CID 177507439
[1-(Benzhydrylideneamino)pyrrolidin-2-yl]-phenylmethanone
CID 177624360

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).