(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole

C17H23FN2O2 — CID 102376008

IUPAC(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c1-21-12-15-4-3-10-19(15)20-11-9-16(22-2)17(20)13-5-7-14(18)8-6-13/h5-9,15,17H,3-4,10-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyRBDMQBRQJURSRU-RDJZCZTQSA-N
MW306.38 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole

(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole (PubChem CID 102376008) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
PubChem CID102376008
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c1-21-12-15-4-3-10-19(15)20-11-9-16(22-2)17(20)13-5-7-14(18)8-6-13/h5-9,15,17H,3-4,10-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyRBDMQBRQJURSRU-RDJZCZTQSA-N
XLogP2.74
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole (CID 102376008) is (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole is COC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The InChIKey is RBDMQBRQJURSRU-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-21-12-15-4-3-10-19(15)20-11-9-16(22-2)17(20)13-5-7-14(18)8-6-13/h5-9,15,17H,3-4,10-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
(2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole has a molecular weight of 306.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole is sourced from PubChem (CID 102376008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).