N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine

C9H15N3 — CID 143430211

IUPACN-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/N=C(\C=C)N1CCNCC1
InChIInChI=1S/C9H15N3/c1-3-9(11-4-2)12-7-5-10-6-8-12/h3-4,10H,1-2,5-8H2/b11-9+
InChIKeySRMJQDGBEBOSFY-PKNBQFBNSA-N
MW165.24 g/mol
LogP0.62
Rot. Bonds2

About N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine

N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine (PubChem CID 143430211) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
PubChem CID143430211
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/N=C(\C=C)N1CCNCC1
InChIInChI=1S/C9H15N3/c1-3-9(11-4-2)12-7-5-10-6-8-12/h3-4,10H,1-2,5-8H2/b11-9+
InChIKeySRMJQDGBEBOSFY-PKNBQFBNSA-N
XLogP0.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-piperazin-1-yl-4H-azepine
CID 54476477
(E)-N-(1-fluoroethenyl)-1-piperazin-1-ylprop-2-en-1-imine
CID 144288809
2-[4-[(E)-C-ethenyl-N-(1-fluoroethenyl)carbonimidoyl]piperazin-1-yl]ethanamine
CID 144288885
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
1-Piperazin-1-ylprop-2-en-1-imine
CID 69931693
3-deuterio-2-ethenyl-4H-pyrimidine
CID 87130852
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
3-Imino-3-piperazin-1-ylprop-1-ene-1,1-diamine
CID 118136489
(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine
CID 121257398
N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 123212426

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine?
The IUPAC name of N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine (CID 143430211) is N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine?
The canonical SMILES for N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine is C=C/N=C(\C=C)N1CCNCC1.
What is the InChIKey of N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine?
The InChIKey is SRMJQDGBEBOSFY-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-9(11-4-2)12-7-5-10-6-8-12/h3-4,10H,1-2,5-8H2/b11-9+.
What are the key properties of N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine?
N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine has a molecular weight of 165.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 143430211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).