methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate

C10H16N2O3 — CID 60949112

IUPACmethyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate
SMILESC=CC(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C10H16N2O3/c1-3-9(13)12-6-4-11(5-7-12)8-10(14)15-2/h3H,1,4-8H2,2H3
InChIKeyZVXZHDVNHIUQTE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.51
Rot. Bonds3

About methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate

methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate (PubChem CID 60949112) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate
PubChem CID60949112
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate
SMILESC=CC(=O)N1CCN(CC(=O)OC)CC1
InChIInChI=1S/C10H16N2O3/c1-3-9(13)12-6-4-11(5-7-12)8-10(14)15-2/h3H,1,4-8H2,2H3
InChIKeyZVXZHDVNHIUQTE-UHFFFAOYSA-N
XLogP-0.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate (CID 60949112) is methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate is C=CC(=O)N1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate?
The InChIKey is ZVXZHDVNHIUQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-9(13)12-6-4-11(5-7-12)8-10(14)15-2/h3H,1,4-8H2,2H3.
What are the key properties of methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate?
methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate is sourced from PubChem (CID 60949112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).