(3Z)-2-ethyliminohexa-3,5-dienal

C8H11NO — CID 143141318

IUPAC(3Z)-2-ethyliminohexa-3,5-dienal
SMILESC=C/C=C\C(C=O)=N\CC
InChIInChI=1S/C8H11NO/c1-3-5-6-8(7-10)9-4-2/h3,5-7H,1,4H2,2H3/b6-5-,9-8-
InChIKeyIYXNXIMNDIWDDS-AFJQJTPPSA-N
MW137.18 g/mol
LogP1.39
Rot. Bonds4

About (3Z)-2-ethyliminohexa-3,5-dienal

(3Z)-2-ethyliminohexa-3,5-dienal (PubChem CID 143141318) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3Z)-2-ethyliminohexa-3,5-dienal.

Molecular Properties

Compound Name(3Z)-2-ethyliminohexa-3,5-dienal
PubChem CID143141318
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3Z)-2-ethyliminohexa-3,5-dienal
SMILESC=C/C=C\C(C=O)=N\CC
InChIInChI=1S/C8H11NO/c1-3-5-6-8(7-10)9-4-2/h3,5-7H,1,4H2,2H3/b6-5-,9-8-
InChIKeyIYXNXIMNDIWDDS-AFJQJTPPSA-N
XLogP1.39
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 ≤ 51.39
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2H-azepine-7-carbaldehyde
CID 143189920
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
CID 153396831
2H-pyrrole-5-carbaldehyde
CID 20649083
4-Methyl-2-methyliminopent-3-enal
CID 87414246
2,3-Dihydropyridine-6-carbaldehyde
CID 89091504
(3Z)-2-ethenyliminohexa-3,5-dienal
CID 89248761
(Z)-2-methyliminopent-3-enal
CID 89534309
(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
2H-azepine-7-carbaldehyde
CID 91805301

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethyliminohexa-3,5-dienal?
The IUPAC name of (3Z)-2-ethyliminohexa-3,5-dienal (CID 143141318) is (3Z)-2-ethyliminohexa-3,5-dienal.
What is the SMILES notation for (3Z)-2-ethyliminohexa-3,5-dienal?
The canonical SMILES for (3Z)-2-ethyliminohexa-3,5-dienal is C=C/C=C\C(C=O)=N\CC.
What is the InChIKey of (3Z)-2-ethyliminohexa-3,5-dienal?
The InChIKey is IYXNXIMNDIWDDS-AFJQJTPPSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-6-8(7-10)9-4-2/h3,5-7H,1,4H2,2H3/b6-5-,9-8-.
What are the key properties of (3Z)-2-ethyliminohexa-3,5-dienal?
(3Z)-2-ethyliminohexa-3,5-dienal has a molecular weight of 137.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethyliminohexa-3,5-dienal is sourced from PubChem (CID 143141318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).