(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine

C9H14IN3 — CID 121257398

IUPAC(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/N=C(\C=C/I)N1CCNCC1
InChIInChI=1S/C9H14IN3/c1-2-12-9(3-4-10)13-7-5-11-6-8-13/h2-4,11H,1,5-8H2/b4-3-,12-9+
InChIKeyDJFKSKMQSBUWTQ-CVTZKADISA-N
MW291.14 g/mol
LogP1.38
Rot. Bonds2

About (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine

(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine (PubChem CID 121257398) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine
PubChem CID121257398
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/N=C(\C=C/I)N1CCNCC1
InChIInChI=1S/C9H14IN3/c1-2-12-9(3-4-10)13-7-5-11-6-8-13/h2-4,11H,1,5-8H2/b4-3-,12-9+
InChIKeyDJFKSKMQSBUWTQ-CVTZKADISA-N
XLogP1.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine (CID 121257398) is (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine is C=C/N=C(\C=C/I)N1CCNCC1.
What is the InChIKey of (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine?
The InChIKey is DJFKSKMQSBUWTQ-CVTZKADISA-N. The full InChI is InChI=1S/C9H14IN3/c1-2-12-9(3-4-10)13-7-5-11-6-8-13/h2-4,11H,1,5-8H2/b4-3-,12-9+.
What are the key properties of (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine?
(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine has a molecular weight of 291.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 121257398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).