4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine

C7H12IN3 — CID 129261812

IUPAC4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine
SMILES[H]/N=C1\CN(I)CCN1/C=C\C
InChIInChI=1S/C7H12IN3/c1-2-3-10-4-5-11(8)6-7(10)9/h2-3,9H,4-6H2,1H3/b3-2-,9-7+
InChIKeyRJYFGLKWLJBQHH-ZISRPPKGSA-N
MW265.10 g/mol
LogP1.46
Rot. Bonds1

About 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine

4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine (PubChem CID 129261812) has the molecular formula C7H12IN3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine.

Molecular Properties

Compound Name4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine
PubChem CID129261812
Molecular FormulaC7H12IN3
Molecular Weight265.10 g/mol
Exact Mass265.01
IUPAC Name4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine
SMILES[H]/N=C1\CN(I)CCN1/C=C\C
InChIInChI=1S/C7H12IN3/c1-2-3-10-4-5-11(8)6-7(10)9/h2-3,9H,4-6H2,1H3/b3-2-,9-7+
InChIKeyRJYFGLKWLJBQHH-ZISRPPKGSA-N
XLogP1.46
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine?
The IUPAC name of 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine (CID 129261812) is 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine.
What is the SMILES notation for 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine?
The canonical SMILES for 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine is [H]/N=C1\CN(I)CCN1/C=C\C.
What is the InChIKey of 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine?
The InChIKey is RJYFGLKWLJBQHH-ZISRPPKGSA-N. The full InChI is InChI=1S/C7H12IN3/c1-2-3-10-4-5-11(8)6-7(10)9/h2-3,9H,4-6H2,1H3/b3-2-,9-7+.
What are the key properties of 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine?
4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine has a molecular weight of 265.10 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[(Z)-prop-1-enyl]piperazin-2-imine is sourced from PubChem (CID 129261812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).