(Z)-5-ethyliminopent-3-enal

C7H11NO — CID 90848161

IUPAC(Z)-5-ethyliminopent-3-enal
SMILESCC/N=C/C=C\CC=O
InChIInChI=1S/C7H11NO/c1-2-8-6-4-3-5-7-9/h3-4,6-7H,2,5H2,1H3/b4-3-,8-6+
InChIKeyHGYUTVLZKUNDEO-OONGGIDMSA-N
MW125.17 g/mol
LogP1.22
Rot. Bonds4

About (Z)-5-ethyliminopent-3-enal

(Z)-5-ethyliminopent-3-enal (PubChem CID 90848161) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-5-ethyliminopent-3-enal.

Molecular Properties

Compound Name(Z)-5-ethyliminopent-3-enal
PubChem CID90848161
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-5-ethyliminopent-3-enal
SMILESCC/N=C/C=C\CC=O
InChIInChI=1S/C7H11NO/c1-2-8-6-4-3-5-7-9/h3-4,6-7H,2,5H2,1H3/b4-3-,8-6+
InChIKeyHGYUTVLZKUNDEO-OONGGIDMSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.22
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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Related Compounds

3-fluoro-2H-pyridine-3-carbaldehyde
CID 142660736
5-Iminopent-3-enal
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2H-pyrrole-2-carbaldehyde
CID 20243583
2,3-Dihydropyridine-3-carbaldehyde
CID 57076602
2-Methylpyrrole-2-carbaldehyde
CID 57115552
2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde
CID 59886714
(Z)-3-ethenyl-5-methyliminopent-3-enal
CID 88961130
(Z)-2-methyliminopent-3-enal
CID 89534309
(Z)-5-propan-2-yliminopent-3-enal
CID 90771683
6-Ethyliminohex-4-enal
CID 91202074
8-Propan-2-yliminoocta-3,5,6-trienal
CID 91282011
2-Ethyliminohex-3-enal
CID 91525888

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethyliminopent-3-enal?
The IUPAC name of (Z)-5-ethyliminopent-3-enal (CID 90848161) is (Z)-5-ethyliminopent-3-enal.
What is the SMILES notation for (Z)-5-ethyliminopent-3-enal?
The canonical SMILES for (Z)-5-ethyliminopent-3-enal is CC/N=C/C=C\CC=O.
What is the InChIKey of (Z)-5-ethyliminopent-3-enal?
The InChIKey is HGYUTVLZKUNDEO-OONGGIDMSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-8-6-4-3-5-7-9/h3-4,6-7H,2,5H2,1H3/b4-3-,8-6+.
What are the key properties of (Z)-5-ethyliminopent-3-enal?
(Z)-5-ethyliminopent-3-enal has a molecular weight of 125.17 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyliminopent-3-enal is sourced from PubChem (CID 90848161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).