(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione

C8H10N2O3 — CID 15176646

IUPAC(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione
SMILESC/C=C1/NC(=O)CN(C(C)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-3-6-8(13)10(5(2)11)4-7(12)9-6/h3H,4H2,1-2H3,(H,9,12)/b6-3+
InChIKeyQHGJYSHFKBLXAJ-ZZXKWVIFSA-N
MW182.18 g/mol
LogP-0.60
Rot. Bonds

About (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione

(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione (PubChem CID 15176646) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione
PubChem CID15176646
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione
SMILESC/C=C1/NC(=O)CN(C(C)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-3-6-8(13)10(5(2)11)4-7(12)9-6/h3H,4H2,1-2H3,(H,9,12)/b6-3+
InChIKeyQHGJYSHFKBLXAJ-ZZXKWVIFSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,6Z)-3,6-di(ethylidene)piperazine-2,5-dione
CID 44383794
Lansai E
CID 146682899
1,4-Diacetyl-3-methylidenepiperazine-2,5-dione
CID 15228669
(Z)-2-acetamido-N-methylbut-2-enamide
CID 15337749
Dimethylaminomaleinimide
CID 129789350
Pyrido[1,2-a]pyrazine-1,3,6-trione
CID 173708624
N-(3-oxo-3-piperidin-1-ylprop-1-en-2-yl)acetamide
CID 76333253
N-(1-Methyl-2-oxo-1,2-dihydro-3-pyridinyl)acetamide
CID 326860
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
N-Methyl propylaminomaleimide
CID 68150162
1-Butyl-3-(butylamino)-1H-pyrrole-2,5-dione
CID 4512565
(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione
CID 15914219

Frequently Asked Questions

What is the IUPAC name of (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione?
The IUPAC name of (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione (CID 15176646) is (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione.
What is the SMILES notation for (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione?
The canonical SMILES for (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione is C/C=C1/NC(=O)CN(C(C)=O)C1=O.
What is the InChIKey of (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione?
The InChIKey is QHGJYSHFKBLXAJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-6-8(13)10(5(2)11)4-7(12)9-6/h3H,4H2,1-2H3,(H,9,12)/b6-3+.
What are the key properties of (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione?
(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione is sourced from PubChem (CID 15176646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).