(2Z)-2-aminopenta-2,4-dienal

C5H7NO — CID 163888293

IUPAC(2Z)-2-aminopenta-2,4-dienal
SMILESC=C/C=C(\N)C=O
InChIInChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4H,1,6H2/b5-3-
InChIKeyPZIMIXQTTDHPLA-HYXAFXHYSA-N
MW97.12 g/mol
LogP0.21
Rot. Bonds2

About (2Z)-2-aminopenta-2,4-dienal

(2Z)-2-aminopenta-2,4-dienal (PubChem CID 163888293) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (2Z)-2-aminopenta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-2-aminopenta-2,4-dienal
PubChem CID163888293
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(2Z)-2-aminopenta-2,4-dienal
SMILESC=C/C=C(\N)C=O
InChIInChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4H,1,6H2/b5-3-
InChIKeyPZIMIXQTTDHPLA-HYXAFXHYSA-N
XLogP0.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-aminopenta-2,4-dienal?
The IUPAC name of (2Z)-2-aminopenta-2,4-dienal (CID 163888293) is (2Z)-2-aminopenta-2,4-dienal.
What is the SMILES notation for (2Z)-2-aminopenta-2,4-dienal?
The canonical SMILES for (2Z)-2-aminopenta-2,4-dienal is C=C/C=C(\N)C=O.
What is the InChIKey of (2Z)-2-aminopenta-2,4-dienal?
The InChIKey is PZIMIXQTTDHPLA-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4H,1,6H2/b5-3-.
What are the key properties of (2Z)-2-aminopenta-2,4-dienal?
(2Z)-2-aminopenta-2,4-dienal has a molecular weight of 97.12 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-aminopenta-2,4-dienal is sourced from PubChem (CID 163888293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).