N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide

C11H21N5O — CID 166729684

IUPACN-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide
SMILESC=CN(C)C(=O)C(=C)NN(C)N1CCNCC1
InChIInChI=1S/C11H21N5O/c1-5-14(3)11(17)10(2)13-15(4)16-8-6-12-7-9-16/h5,12-13H,1-2,6-9H2,3-4H3
InChIKeyTULMYHYTUVMZBF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.64
Rot. Bonds5

About N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide

N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide (PubChem CID 166729684) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide
PubChem CID166729684
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide
SMILESC=CN(C)C(=O)C(=C)NN(C)N1CCNCC1
InChIInChI=1S/C11H21N5O/c1-5-14(3)11(17)10(2)13-15(4)16-8-6-12-7-9-16/h5,12-13H,1-2,6-9H2,3-4H3
InChIKeyTULMYHYTUVMZBF-UHFFFAOYSA-N
XLogP-0.64
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide?
The IUPAC name of N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide (CID 166729684) is N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide.
What is the SMILES notation for N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide?
The canonical SMILES for N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide is C=CN(C)C(=O)C(=C)NN(C)N1CCNCC1.
What is the InChIKey of N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide?
The InChIKey is TULMYHYTUVMZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-14(3)11(17)10(2)13-15(4)16-8-6-12-7-9-16/h5,12-13H,1-2,6-9H2,3-4H3.
What are the key properties of N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide?
N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide has a molecular weight of 239.32 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide is sourced from PubChem (CID 166729684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).