[(Z)-4-iminopent-2-en-2-yl]oxidanium

C5H10NO+ — CID 143658651

IUPAC[(Z)-4-iminopent-2-en-2-yl]oxidanium
SMILES[H]/N=C(C)/C=C(/C)[OH2+]
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,6-7H,1-2H3/p+1/b5-3-,6-4+
InChIKeyVMODALSUCIGZIK-CIIODKQPSA-O
MW100.14 g/mol
LogP0.65
Rot. Bonds1

About [(Z)-4-iminopent-2-en-2-yl]oxidanium

[(Z)-4-iminopent-2-en-2-yl]oxidanium (PubChem CID 143658651) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is [(Z)-4-iminopent-2-en-2-yl]oxidanium.

Molecular Properties

Compound Name[(Z)-4-iminopent-2-en-2-yl]oxidanium
PubChem CID143658651
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name[(Z)-4-iminopent-2-en-2-yl]oxidanium
SMILES[H]/N=C(C)/C=C(/C)[OH2+]
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,6-7H,1-2H3/p+1/b5-3-,6-4+
InChIKeyVMODALSUCIGZIK-CIIODKQPSA-O
XLogP0.65
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-iminopent-2-en-2-yl]oxidanium?
The IUPAC name of [(Z)-4-iminopent-2-en-2-yl]oxidanium (CID 143658651) is [(Z)-4-iminopent-2-en-2-yl]oxidanium.
What is the SMILES notation for [(Z)-4-iminopent-2-en-2-yl]oxidanium?
The canonical SMILES for [(Z)-4-iminopent-2-en-2-yl]oxidanium is [H]/N=C(C)/C=C(/C)[OH2+].
What is the InChIKey of [(Z)-4-iminopent-2-en-2-yl]oxidanium?
The InChIKey is VMODALSUCIGZIK-CIIODKQPSA-O. The full InChI is InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,6-7H,1-2H3/p+1/b5-3-,6-4+.
What are the key properties of [(Z)-4-iminopent-2-en-2-yl]oxidanium?
[(Z)-4-iminopent-2-en-2-yl]oxidanium has a molecular weight of 100.14 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-iminopent-2-en-2-yl]oxidanium is sourced from PubChem (CID 143658651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).