(3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione

C16H18N2O3 — CID 25017460

IUPAC(3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=c1\c(=O)n(O)/c(=C/c2ccccc2)c(=O)n1C
InChIInChI=1S/C16H18N2O3/c1-11(2)9-13-16(20)18(21)14(15(19)17(13)3)10-12-7-5-4-6-8-12/h4-11,21H,1-3H3/b13-9+,14-10+
InChIKeyFVZUWOVBKWJDHM-UTLPMFLDSA-N
MW286.33 g/mol
LogP0.05
Rot. Bonds2

About (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione

(3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 25017460) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione
PubChem CID25017460
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=c1\c(=O)n(O)/c(=C/c2ccccc2)c(=O)n1C
InChIInChI=1S/C16H18N2O3/c1-11(2)9-13-16(20)18(21)14(15(19)17(13)3)10-12-7-5-4-6-8-12/h4-11,21H,1-3H3/b13-9+,14-10+
InChIKeyFVZUWOVBKWJDHM-UTLPMFLDSA-N
XLogP0.05
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione (CID 25017460) is (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione is CC(C)/C=c1\c(=O)n(O)/c(=C/c2ccccc2)c(=O)n1C.
What is the InChIKey of (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is FVZUWOVBKWJDHM-UTLPMFLDSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)9-13-16(20)18(21)14(15(19)17(13)3)10-12-7-5-4-6-8-12/h4-11,21H,1-3H3/b13-9+,14-10+.
What are the key properties of (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione?
(3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 286.33 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-6-benzylidene-1-hydroxy-4-methyl-3-(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 25017460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).