(E)-4-(2-oxopiperazin-1-yl)but-2-enamide

C8H13N3O2 — CID 144927338

IUPAC(E)-4-(2-oxopiperazin-1-yl)but-2-enamide
SMILESNC(=O)/C=C/CN1CCNCC1=O
InChIInChI=1S/C8H13N3O2/c9-7(12)2-1-4-11-5-3-10-6-8(11)13/h1-2,10H,3-6H2,(H2,9,12)/b2-1+
InChIKeyQWHGJHOSOJICEC-OWOJBTEDSA-N
MW183.21 g/mol
LogP-1.54
Rot. Bonds3

About (E)-4-(2-oxopiperazin-1-yl)but-2-enamide

(E)-4-(2-oxopiperazin-1-yl)but-2-enamide (PubChem CID 144927338) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (E)-4-(2-oxopiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(2-oxopiperazin-1-yl)but-2-enamide
PubChem CID144927338
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(E)-4-(2-oxopiperazin-1-yl)but-2-enamide
SMILESNC(=O)/C=C/CN1CCNCC1=O
InChIInChI=1S/C8H13N3O2/c9-7(12)2-1-4-11-5-3-10-6-8(11)13/h1-2,10H,3-6H2,(H2,9,12)/b2-1+
InChIKeyQWHGJHOSOJICEC-OWOJBTEDSA-N
XLogP-1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-oxopiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-4-(2-oxopiperazin-1-yl)but-2-enamide (CID 144927338) is (E)-4-(2-oxopiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-4-(2-oxopiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-4-(2-oxopiperazin-1-yl)but-2-enamide is NC(=O)/C=C/CN1CCNCC1=O.
What is the InChIKey of (E)-4-(2-oxopiperazin-1-yl)but-2-enamide?
The InChIKey is QWHGJHOSOJICEC-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7(12)2-1-4-11-5-3-10-6-8(11)13/h1-2,10H,3-6H2,(H2,9,12)/b2-1+.
What are the key properties of (E)-4-(2-oxopiperazin-1-yl)but-2-enamide?
(E)-4-(2-oxopiperazin-1-yl)but-2-enamide has a molecular weight of 183.21 g/mol, XLogP of -1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-oxopiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 144927338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).