(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid

C8H11NO2 — CID 134383983

IUPAC(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid
SMILESC=C/C(=C\C=C(/C)N)C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-7(8(10)11)5-4-6(2)9/h3-5H,1,9H2,2H3,(H,10,11)/b6-4+,7-5+
InChIKeyKYWLICMTCUBHOS-YDFGWWAZSA-N
MW153.18 g/mol
LogP1.05
Rot. Bonds3

About (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid

(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid (PubChem CID 134383983) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid
PubChem CID134383983
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid
SMILESC=C/C(=C\C=C(/C)N)C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-7(8(10)11)5-4-6(2)9/h3-5H,1,9H2,2H3,(H,10,11)/b6-4+,7-5+
InChIKeyKYWLICMTCUBHOS-YDFGWWAZSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 135190409
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CID 142866304
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CID 54350782
CID 54350782
CID 87721103
CID 87721103
CID 88272195
CID 88272195
CID 88273381
CID 88273381
CID 88561116
CID 88561116
CID 88591869
CID 88591869
CID 88874568
CID 88874568
CID 89021611
CID 89021611
CID 89085989
CID 89085989
CID 89148274
CID 89148274

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid (CID 134383983) is (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid is C=C/C(=C\C=C(/C)N)C(=O)O.
What is the InChIKey of (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid?
The InChIKey is KYWLICMTCUBHOS-YDFGWWAZSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7(8(10)11)5-4-6(2)9/h3-5H,1,9H2,2H3,(H,10,11)/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid?
(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid is sourced from PubChem (CID 134383983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).