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

C7H11NO2 — CID 88591869

IUPAC(2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid
SMILESC/C(N)=C(C)/C=C/C(=O)O
InChIInChI=1S/C7H11NO2/c1-5(6(2)8)3-4-7(9)10/h3-4H,8H2,1-2H3,(H,9,10)/b4-3+,6-5-
InChIKeyRZRWETPVOWDCIR-ICWBMWKASA-N
MW141.17 g/mol
LogP0.88
Rot. Bonds2

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

(2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid (PubChem CID 88591869) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid
PubChem CID88591869
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid
SMILESC/C(N)=C(C)/C=C/C(=O)O
InChIInChI=1S/C7H11NO2/c1-5(6(2)8)3-4-7(9)10/h3-4H,8H2,1-2H3,(H,9,10)/b4-3+,6-5-
InChIKeyRZRWETPVOWDCIR-ICWBMWKASA-N
XLogP0.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid (CID 88591869) is (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid is C/C(N)=C(C)/C=C/C(=O)O.
What is the InChIKey of (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid?
The InChIKey is RZRWETPVOWDCIR-ICWBMWKASA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(6(2)8)3-4-7(9)10/h3-4H,8H2,1-2H3,(H,9,10)/b4-3+,6-5-.
What are the key properties of (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid?
(2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-amino-4-methylhexa-2,4-dienoic acid is sourced from PubChem (CID 88591869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).