ethyl prop-2-enoate;piperazine

C9H18N2O2 — CID 19869790

IUPACethyl prop-2-enoate;piperazine
SMILESC1CNCCN1.C=CC(=O)OCC
InChIInChI=1S/C5H8O2.C4H10N2/c1-3-5(6)7-4-2;1-2-6-4-3-5-1/h3H,1,4H2,2H3;5-6H,1-4H2
InChIKeyFPLPAHIQESSYRR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.09
Rot. Bonds2

About ethyl prop-2-enoate;piperazine

ethyl prop-2-enoate;piperazine (PubChem CID 19869790) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl prop-2-enoate;piperazine.

Molecular Properties

Compound Nameethyl prop-2-enoate;piperazine
PubChem CID19869790
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl prop-2-enoate;piperazine
SMILESC1CNCCN1.C=CC(=O)OCC
InChIInChI=1S/C5H8O2.C4H10N2/c1-3-5(6)7-4-2;1-2-6-4-3-5-1/h3H,1,4H2,2H3;5-6H,1-4H2
InChIKeyFPLPAHIQESSYRR-UHFFFAOYSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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 ethyl prop-2-enoate;piperazine?
The IUPAC name of ethyl prop-2-enoate;piperazine (CID 19869790) is ethyl prop-2-enoate;piperazine.
What is the SMILES notation for ethyl prop-2-enoate;piperazine?
The canonical SMILES for ethyl prop-2-enoate;piperazine is C1CNCCN1.C=CC(=O)OCC.
What is the InChIKey of ethyl prop-2-enoate;piperazine?
The InChIKey is FPLPAHIQESSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H10N2/c1-3-5(6)7-4-2;1-2-6-4-3-5-1/h3H,1,4H2,2H3;5-6H,1-4H2.
What are the key properties of ethyl prop-2-enoate;piperazine?
ethyl prop-2-enoate;piperazine has a molecular weight of 186.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;piperazine is sourced from PubChem (CID 19869790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).