1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one

C10H14N2O2 — CID 11600841

IUPAC1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CNCCN1C(=O)C=C
InChIInChI=1S/C10H14N2O2/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2/h3-4,8,11H,1-2,5-7H2
InChIKeyLFYMIRQGCLQTGU-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.27
Rot. Bonds3

About 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one

1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one (PubChem CID 11600841) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
PubChem CID11600841
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CNCCN1C(=O)C=C
InChIInChI=1S/C10H14N2O2/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2/h3-4,8,11H,1-2,5-7H2
InChIKeyLFYMIRQGCLQTGU-UHFFFAOYSA-N
XLogP-0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one (CID 11600841) is 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one is C=CC(=O)C1CNCCN1C(=O)C=C.
What is the InChIKey of 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
The InChIKey is LFYMIRQGCLQTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2/h3-4,8,11H,1-2,5-7H2.
What are the key properties of 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one has a molecular weight of 194.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 11600841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).