4-prop-2-enoylpiperazin-2-one

C7H10N2O2 — CID 43616246

IUPAC4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H10N2O2/c1-2-7(11)9-4-3-8-6(10)5-9/h2H,1,3-5H2,(H,8,10)
InChIKeyOTXGXIOEMVNQNN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.87
Rot. Bonds1

About 4-prop-2-enoylpiperazin-2-one

4-prop-2-enoylpiperazin-2-one (PubChem CID 43616246) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name4-prop-2-enoylpiperazin-2-one
PubChem CID43616246
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H10N2O2/c1-2-7(11)9-4-3-8-6(10)5-9/h2H,1,3-5H2,(H,8,10)
InChIKeyOTXGXIOEMVNQNN-UHFFFAOYSA-N
XLogP-0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-prop-2-enoylpiperazin-2-one?
The IUPAC name of 4-prop-2-enoylpiperazin-2-one (CID 43616246) is 4-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for 4-prop-2-enoylpiperazin-2-one?
The canonical SMILES for 4-prop-2-enoylpiperazin-2-one is C=CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-prop-2-enoylpiperazin-2-one?
The InChIKey is OTXGXIOEMVNQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-7(11)9-4-3-8-6(10)5-9/h2H,1,3-5H2,(H,8,10).
What are the key properties of 4-prop-2-enoylpiperazin-2-one?
4-prop-2-enoylpiperazin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 43616246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).