N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine

C9H14IN — CID 139359343

IUPACN-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(=C\C)C(C)I
InChIInChI=1S/C9H14IN/c1-5-7(3)11-9(6-2)8(4)10/h5-6,8H,1H2,2-4H3/b9-6-,11-7+
InChIKeyCIPOGVSJXGWVTJ-STGKXFFCSA-N
MW263.12 g/mol
LogP3.36
Rot. Bonds3

About N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine

N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine (PubChem CID 139359343) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine
PubChem CID139359343
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC NameN-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(=C\C)C(C)I
InChIInChI=1S/C9H14IN/c1-5-7(3)11-9(6-2)8(4)10/h5-6,8H,1H2,2-4H3/b9-6-,11-7+
InChIKeyCIPOGVSJXGWVTJ-STGKXFFCSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine?
The IUPAC name of N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine (CID 139359343) is N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine.
What is the SMILES notation for N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine?
The canonical SMILES for N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine is C=C/C(C)=N/C(=C\C)C(C)I.
What is the InChIKey of N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine?
The InChIKey is CIPOGVSJXGWVTJ-STGKXFFCSA-N. The full InChI is InChI=1S/C9H14IN/c1-5-7(3)11-9(6-2)8(4)10/h5-6,8H,1H2,2-4H3/b9-6-,11-7+.
What are the key properties of N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine?
N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine has a molecular weight of 263.12 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine is sourced from PubChem (CID 139359343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).