(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one

C22H20N2O3 — CID 54727855

IUPAC(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(C2=C(O)[C@@H](Cc3ccccc3)NC2=O)[C@@H](Cc2ccccc2)N1
InChIInChI=1S/C22H20N2O3/c25-19-13-16(17(23-19)11-14-7-3-1-4-8-14)20-21(26)18(24-22(20)27)12-15-9-5-2-6-10-15/h1-10,13,17-18,26H,11-12H2,(H,23,25)(H,24,27)/t17-,18-/m1/s1
InChIKeyXUGKANINACIVSS-QZTJIDSGSA-N
MW360.41 g/mol
LogP2.21
Rot. Bonds5

About (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one

(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 54727855) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID54727855
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(C2=C(O)[C@@H](Cc3ccccc3)NC2=O)[C@@H](Cc2ccccc2)N1
InChIInChI=1S/C22H20N2O3/c25-19-13-16(17(23-19)11-14-7-3-1-4-8-14)20-21(26)18(24-22(20)27)12-15-9-5-2-6-10-15/h1-10,13,17-18,26H,11-12H2,(H,23,25)(H,24,27)/t17-,18-/m1/s1
InChIKeyXUGKANINACIVSS-QZTJIDSGSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one (CID 54727855) is (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one is O=C1C=C(C2=C(O)[C@@H](Cc3ccccc3)NC2=O)[C@@H](Cc2ccccc2)N1.
What is the InChIKey of (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is XUGKANINACIVSS-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-19-13-16(17(23-19)11-14-7-3-1-4-8-14)20-21(26)18(24-22(20)27)12-15-9-5-2-6-10-15/h1-10,13,17-18,26H,11-12H2,(H,23,25)(H,24,27)/t17-,18-/m1/s1.
What are the key properties of (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one?
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 360.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 54727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).