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

C17H21NO2 — CID 97384178

IUPAC(2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)o1
InChIInChI=1S/C17H21NO2/c1-13-7-8-15(20-13)12-18-10-9-17(19)16(18)11-14-5-3-2-4-6-14/h2-8,16-17,19H,9-12H2,1H3/t16-,17+/m0/s1
InChIKeySOPZDXWXNDJUQV-DLBZAZTESA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds4

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

(2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 97384178) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol
PubChem CID97384178
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)o1
InChIInChI=1S/C17H21NO2/c1-13-7-8-15(20-13)12-18-10-9-17(19)16(18)11-14-5-3-2-4-6-14/h2-8,16-17,19H,9-12H2,1H3/t16-,17+/m0/s1
InChIKeySOPZDXWXNDJUQV-DLBZAZTESA-N
XLogP2.77
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol (CID 97384178) is (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol is Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)o1.
What is the InChIKey of (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SOPZDXWXNDJUQV-DLBZAZTESA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-8-15(20-13)12-18-10-9-17(19)16(18)11-14-5-3-2-4-6-14/h2-8,16-17,19H,9-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol?
(2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97384178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).