(2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid

C8H11NO2 — CID 90270416

IUPAC(2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid
SMILESC/C=N/C=C\C/C=C/C(=O)O
InChIInChI=1S/C8H11NO2/c1-2-9-7-5-3-4-6-8(10)11/h2,4-7H,3H2,1H3,(H,10,11)/b6-4+,7-5-,9-2+
InChIKeyJJCYBXGBZYJJJW-UYOJQLSTSA-N
MW153.18 g/mol
LogP1.62
Rot. Bonds4

About (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid

(2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid (PubChem CID 90270416) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid.

Molecular Properties

Compound Name(2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid
PubChem CID90270416
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid
SMILESC/C=N/C=C\C/C=C/C(=O)O
InChIInChI=1S/C8H11NO2/c1-2-9-7-5-3-4-6-8(10)11/h2,4-7H,3H2,1H3,(H,10,11)/b6-4+,7-5-,9-2+
InChIKeyJJCYBXGBZYJJJW-UYOJQLSTSA-N
XLogP1.62
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid?
The IUPAC name of (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid (CID 90270416) is (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid.
What is the SMILES notation for (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid?
The canonical SMILES for (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid is C/C=N/C=C\C/C=C/C(=O)O.
What is the InChIKey of (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid?
The InChIKey is JJCYBXGBZYJJJW-UYOJQLSTSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-9-7-5-3-4-6-8(10)11/h2,4-7H,3H2,1H3,(H,10,11)/b6-4+,7-5-,9-2+.
What are the key properties of (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid?
(2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-6-(ethylideneamino)hexa-2,5-dienoic acid is sourced from PubChem (CID 90270416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).