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

C21H26N2O2 — CID 15472638

IUPAC(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O2/c1-24-15-19-8-5-12-22(19)23-13-11-20(25-2)21(23)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-11,14,19,21H,5,8,12-13,15H2,1-2H3/t19-,21-/m0/s1
InChIKeyJQUZXXHNORXNAX-FPOVZHCZSA-N
MW338.45 g/mol
LogP3.75
Rot. Bonds5

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

(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole (PubChem CID 15472638) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole
PubChem CID15472638
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O2/c1-24-15-19-8-5-12-22(19)23-13-11-20(25-2)21(23)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-11,14,19,21H,5,8,12-13,15H2,1-2H3/t19-,21-/m0/s1
InChIKeyJQUZXXHNORXNAX-FPOVZHCZSA-N
XLogP3.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole?
The IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole (CID 15472638) is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole?
The canonical SMILES for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole is COC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole?
The InChIKey is JQUZXXHNORXNAX-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-15-19-8-5-12-22(19)23-13-11-20(25-2)21(23)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-11,14,19,21H,5,8,12-13,15H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole?
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-yl-2,5-dihydropyrrole has a molecular weight of 338.45 g/mol, XLogP of 3.75, 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-naphthalen-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 15472638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).