6-ethyliminohex-4-enal

C8H13NO — CID 91202074

IUPAC6-ethyliminohex-4-enal
SMILESCC/N=C/C=CCCC=O
InChIInChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8-10/h3,5,7-8H,2,4,6H2,1H3/b5-3?,9-7+
InChIKeyYJXDJADLMYVPSN-UCFJBRMLSA-N
MW139.20 g/mol
LogP1.61
Rot. Bonds5

About 6-ethyliminohex-4-enal

6-ethyliminohex-4-enal (PubChem CID 91202074) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethyliminohex-4-enal.

Molecular Properties

Compound Name6-ethyliminohex-4-enal
PubChem CID91202074
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethyliminohex-4-enal
SMILESCC/N=C/C=CCCC=O
InChIInChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8-10/h3,5,7-8H,2,4,6H2,1H3/b5-3?,9-7+
InChIKeyYJXDJADLMYVPSN-UCFJBRMLSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine-2-carbaldehyde
CID 18785126
2-[(E)-2-methylpent-3-enyl]iminoacetaldehyde
CID 59886714
(Z)-3-ethenyl-5-methyliminopent-3-enal
CID 88961130
(Z)-5-propan-2-yliminopent-3-enal
CID 90771683
(Z)-5-ethyliminopent-3-enal
CID 90848161
8-Propan-2-yliminoocta-3,5,6-trienal
CID 91282011
2-Ethyliminohex-3-enal
CID 91525888
(3Z)-3-(methyliminomethyl)hexa-3,5-dienal
CID 143147879
(Z)-2-ethyliminohex-3-enal
CID 143817160
3-methyl-2H-pyridine-3-carbaldehyde
CID 152767661
2,3-Dihydropyridine;propanal
CID 174838401
7-Methyliminohepta-2,5-dienal
CID 58625614

Frequently Asked Questions

What is the IUPAC name of 6-ethyliminohex-4-enal?
The IUPAC name of 6-ethyliminohex-4-enal (CID 91202074) is 6-ethyliminohex-4-enal.
What is the SMILES notation for 6-ethyliminohex-4-enal?
The canonical SMILES for 6-ethyliminohex-4-enal is CC/N=C/C=CCCC=O.
What is the InChIKey of 6-ethyliminohex-4-enal?
The InChIKey is YJXDJADLMYVPSN-UCFJBRMLSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8-10/h3,5,7-8H,2,4,6H2,1H3/b5-3?,9-7+.
What are the key properties of 6-ethyliminohex-4-enal?
6-ethyliminohex-4-enal has a molecular weight of 139.20 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyliminohex-4-enal is sourced from PubChem (CID 91202074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).