3-[(Z)-prop-1-enyl]iminopent-4-enal

C8H11NO — CID 126695564

IUPAC3-[(Z)-prop-1-enyl]iminopent-4-enal
SMILESC=C/C(CC=O)=N\C=C/C
InChIInChI=1S/C8H11NO/c1-3-6-9-8(4-2)5-7-10/h3-4,6-7H,2,5H2,1H3/b6-3-,9-8+
InChIKeyTWORKPDKNAEIMS-IAAUUEAGSA-N
MW137.18 g/mol
LogP1.74
Rot. Bonds4

About 3-[(Z)-prop-1-enyl]iminopent-4-enal

3-[(Z)-prop-1-enyl]iminopent-4-enal (PubChem CID 126695564) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enyl]iminopent-4-enal.

Molecular Properties

Compound Name3-[(Z)-prop-1-enyl]iminopent-4-enal
PubChem CID126695564
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-[(Z)-prop-1-enyl]iminopent-4-enal
SMILESC=C/C(CC=O)=N\C=C/C
InChIInChI=1S/C8H11NO/c1-3-6-9-8(4-2)5-7-10/h3-4,6-7H,2,5H2,1H3/b6-3-,9-8+
InChIKeyTWORKPDKNAEIMS-IAAUUEAGSA-N
XLogP1.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enyl]iminopent-4-enal?
The IUPAC name of 3-[(Z)-prop-1-enyl]iminopent-4-enal (CID 126695564) is 3-[(Z)-prop-1-enyl]iminopent-4-enal.
What is the SMILES notation for 3-[(Z)-prop-1-enyl]iminopent-4-enal?
The canonical SMILES for 3-[(Z)-prop-1-enyl]iminopent-4-enal is C=C/C(CC=O)=N\C=C/C.
What is the InChIKey of 3-[(Z)-prop-1-enyl]iminopent-4-enal?
The InChIKey is TWORKPDKNAEIMS-IAAUUEAGSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-6-9-8(4-2)5-7-10/h3-4,6-7H,2,5H2,1H3/b6-3-,9-8+.
What are the key properties of 3-[(Z)-prop-1-enyl]iminopent-4-enal?
3-[(Z)-prop-1-enyl]iminopent-4-enal has a molecular weight of 137.18 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enyl]iminopent-4-enal is sourced from PubChem (CID 126695564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).