(2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid

C7H9NO2 — CID 87631793

IUPAC(2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid
SMILESC=C/C(=C\C=C/N)C(=O)O
InChIInChI=1S/C7H9NO2/c1-2-6(7(9)10)4-3-5-8/h2-5H,1,8H2,(H,9,10)/b5-3-,6-4+
InChIKeyMCEKGVLNJKVENI-CIIODKQPSA-N
MW139.15 g/mol
LogP0.66
Rot. Bonds3

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

(2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid (PubChem CID 87631793) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid
PubChem CID87631793
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid
SMILESC=C/C(=C\C=C/N)C(=O)O
InChIInChI=1S/C7H9NO2/c1-2-6(7(9)10)4-3-5-8/h2-5H,1,8H2,(H,9,10)/b5-3-,6-4+
InChIKeyMCEKGVLNJKVENI-CIIODKQPSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.66
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

(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
CID 129259251
(2E,4E)-5-borono-2-ethenylpenta-2,4-dienoic acid
CID 145124171
(2E,4E)-5-carbonochloridoyl-2-ethenylhepta-2,4,6-trienoic acid
CID 170252954
(3E,5Z,7Z)-5,8-diamino-3-[(methylideneamino)methylidene]octa-1,5,7-trien-4-one
CID 169189998
2-ethenylbut-2-enedioic acid
CID 54086749
(2E,4Z)-2-ethenyl-5-(methylamino)hexa-2,4-dienoic acid
CID 166647606
(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid
CID 131970548
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
formamide;prop-2-enoic acid
CID 23373282
(2E)-2-[(1-aminoethylideneamino)methylidene]but-3-enoic acid
CID 123481340
tert-butyl acetate;(2E)-2-ethenylpenta-2,4-dienoic acid
CID 143820914
(3E,5Z)-3-ethenyl-1,1-difluorohepta-3,5-dien-2-one
CID 145079056

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid (CID 87631793) is (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid is C=C/C(=C\C=C/N)C(=O)O.
What is the InChIKey of (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid?
The InChIKey is MCEKGVLNJKVENI-CIIODKQPSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-6(7(9)10)4-3-5-8/h2-5H,1,8H2,(H,9,10)/b5-3-,6-4+.
What are the key properties of (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid?
(2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid has a molecular weight of 139.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-amino-2-ethenylpenta-2,4-dienoic acid is sourced from PubChem (CID 87631793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).