2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one

C11H16N2O2 — CID 54347693

IUPAC2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)C(=C)C)CC1
InChIInChI=1S/C11H16N2O2/c1-4-10(14)12-5-7-13(8-6-12)11(15)9(2)3/h4H,1-2,5-8H2,3H3
InChIKeyUDLQLIRPWFOFAT-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.42
Rot. Bonds2

About 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one

2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 54347693) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one
PubChem CID54347693
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)C(=C)C)CC1
InChIInChI=1S/C11H16N2O2/c1-4-10(14)12-5-7-13(8-6-12)11(15)9(2)3/h4H,1-2,5-8H2,3H3
InChIKeyUDLQLIRPWFOFAT-UHFFFAOYSA-N
XLogP0.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.42
H-Bond Donors ≤ 50
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 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one (CID 54347693) is 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one is C=CC(=O)N1CCN(C(=O)C(=C)C)CC1.
What is the InChIKey of 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is UDLQLIRPWFOFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-10(14)12-5-7-13(8-6-12)11(15)9(2)3/h4H,1-2,5-8H2,3H3.
What are the key properties of 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one?
2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 54347693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).