4-prop-2-enylpiperazin-2-one

C7H12N2O — CID 68849207

IUPAC4-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCNC(=O)C1
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(10)6-9/h2H,1,3-6H2,(H,8,10)
InChIKeyVSEXCPOOHZBJRE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds2

About 4-prop-2-enylpiperazin-2-one

4-prop-2-enylpiperazin-2-one (PubChem CID 68849207) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name4-prop-2-enylpiperazin-2-one
PubChem CID68849207
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCNC(=O)C1
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(10)6-9/h2H,1,3-6H2,(H,8,10)
InChIKeyVSEXCPOOHZBJRE-UHFFFAOYSA-N
XLogP-0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpiperazin-2-one?
The IUPAC name of 4-prop-2-enylpiperazin-2-one (CID 68849207) is 4-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 4-prop-2-enylpiperazin-2-one?
The canonical SMILES for 4-prop-2-enylpiperazin-2-one is C=CCN1CCNC(=O)C1.
What is the InChIKey of 4-prop-2-enylpiperazin-2-one?
The InChIKey is VSEXCPOOHZBJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(10)6-9/h2H,1,3-6H2,(H,8,10).
What are the key properties of 4-prop-2-enylpiperazin-2-one?
4-prop-2-enylpiperazin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 68849207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).