piperazine;N-prop-2-enoylprop-2-enamide

C10H17N3O2 — CID 157217039

IUPACpiperazine;N-prop-2-enoylprop-2-enamide
SMILESC1CNCCN1.C=CC(=O)NC(=O)C=C
InChIInChI=1S/C6H7NO2.C4H10N2/c1-3-5(8)7-6(9)4-2;1-2-6-4-3-5-1/h3-4H,1-2H2,(H,7,8,9);5-6H,1-4H2
InChIKeyASNSGJHUNNXRLK-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.82
Rot. Bonds2

About piperazine;N-prop-2-enoylprop-2-enamide

piperazine;N-prop-2-enoylprop-2-enamide (PubChem CID 157217039) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is piperazine;N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound Namepiperazine;N-prop-2-enoylprop-2-enamide
PubChem CID157217039
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namepiperazine;N-prop-2-enoylprop-2-enamide
SMILESC1CNCCN1.C=CC(=O)NC(=O)C=C
InChIInChI=1S/C6H7NO2.C4H10N2/c1-3-5(8)7-6(9)4-2;1-2-6-4-3-5-1/h3-4H,1-2H2,(H,7,8,9);5-6H,1-4H2
InChIKeyASNSGJHUNNXRLK-UHFFFAOYSA-N
XLogP-0.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
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 piperazine;N-prop-2-enoylprop-2-enamide?
The IUPAC name of piperazine;N-prop-2-enoylprop-2-enamide (CID 157217039) is piperazine;N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for piperazine;N-prop-2-enoylprop-2-enamide?
The canonical SMILES for piperazine;N-prop-2-enoylprop-2-enamide is C1CNCCN1.C=CC(=O)NC(=O)C=C.
What is the InChIKey of piperazine;N-prop-2-enoylprop-2-enamide?
The InChIKey is ASNSGJHUNNXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H10N2/c1-3-5(8)7-6(9)4-2;1-2-6-4-3-5-1/h3-4H,1-2H2,(H,7,8,9);5-6H,1-4H2.
What are the key properties of piperazine;N-prop-2-enoylprop-2-enamide?
piperazine;N-prop-2-enoylprop-2-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 157217039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).