(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole

C17H24N2O2 — CID 11098198

IUPAC(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-20-13-15-9-6-11-18(15)19-12-10-16(21-2)17(19)14-7-4-3-5-8-14/h3-5,7-8,10,15,17H,6,9,11-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyLLWQRLJEKRDJFK-RDJZCZTQSA-N
MW288.39 g/mol
LogP2.60
Rot. Bonds5

About (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole

(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole (PubChem CID 11098198) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole
PubChem CID11098198
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-20-13-15-9-6-11-18(15)19-12-10-16(21-2)17(19)14-7-4-3-5-8-14/h3-5,7-8,10,15,17H,6,9,11-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyLLWQRLJEKRDJFK-RDJZCZTQSA-N
XLogP2.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Methoxy-2-phenyl-2,5-dihydropyrrol-1-yl)morpholine
CID 10890636
3-methoxy-N,N-dimethyl-2-phenyl-2,5-dihydropyrrol-1-amine
CID 15416661
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole
CID 15472638
(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
CID 102376008
(3R,5S,8aR)-3-phenyl-5-propyl-3,5,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10634007
(3R,5S,8aR)-5-methyl-3-phenyl-3,5,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10703894
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 10927351
carbon monoxide;1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 11069285
2-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
CID 11110119
N-(cyanomethyl)-4-phenyloxazolidine
CID 13522652
lithium [(1R)-2-methoxy-1-phenylethyl]-propan-2-ylazanide
CID 13571326
(2S)-1-methyl-2-[[(5R)-5-methyl-5-phenylcyclopenten-1-yl]oxymethyl]pyrrolidine
CID 101860522

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole?
The IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole (CID 11098198) is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole?
The canonical SMILES for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole is COC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole?
The InChIKey is LLWQRLJEKRDJFK-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-20-13-15-9-6-11-18(15)19-12-10-16(21-2)17(19)14-7-4-3-5-8-14/h3-5,7-8,10,15,17H,6,9,11-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole?
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole has a molecular weight of 288.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole is sourced from PubChem (CID 11098198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).