(2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine

C18H23NO2 — CID 97384193

IUPAC(2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCO[C@@H]1CCN(Cc2ccc(C)o2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-14-8-9-16(21-14)13-19-11-10-18(20-2)17(19)12-15-6-4-3-5-7-15/h3-9,17-18H,10-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyLSODTWBEWXASTD-ZWKOTPCHSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds5

About (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine

(2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine (PubChem CID 97384193) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
PubChem CID97384193
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCO[C@@H]1CCN(Cc2ccc(C)o2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-14-8-9-16(21-14)13-19-11-10-18(20-2)17(19)12-15-6-4-3-5-7-15/h3-9,17-18H,10-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyLSODTWBEWXASTD-ZWKOTPCHSA-N
XLogP3.42
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The IUPAC name of (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine (CID 97384193) is (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine is CO[C@@H]1CCN(Cc2ccc(C)o2)[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The InChIKey is LSODTWBEWXASTD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-8-9-16(21-14)13-19-11-10-18(20-2)17(19)12-15-6-4-3-5-7-15/h3-9,17-18H,10-13H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine?
(2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine has a molecular weight of 285.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-3-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 97384193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).