1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one

C18H17NO2 — CID 679868

IUPAC1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H17NO2/c20-17-16(11-14-7-3-1-4-8-14)13-19(18(17)21)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2
InChIKeyAMDXHGCAVYXHKS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.08
Rot. Bonds4

About 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one

1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 679868) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID679868
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H17NO2/c20-17-16(11-14-7-3-1-4-8-14)13-19(18(17)21)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2
InChIKeyAMDXHGCAVYXHKS-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one (CID 679868) is 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C(Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is AMDXHGCAVYXHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17-16(11-14-7-3-1-4-8-14)13-19(18(17)21)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2.
What are the key properties of 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one?
1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 279.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 679868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).