(E)-2-(1-diazenylethenyl)pent-2-enoic acid

C7H10N2O2 — CID 89230666

IUPAC(E)-2-(1-diazenylethenyl)pent-2-enoic acid
SMILES[H]/N=N/C(=C)/C(=C\CC)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-3-4-6(7(10)11)5(2)9-8/h4,8H,2-3H2,1H3,(H,10,11)/b6-4+,9-8+
InChIKeySLQRWUXZSOENEO-ICNYKPIKSA-N
MW154.17 g/mol
LogP1.95
Rot. Bonds4

About (E)-2-(1-diazenylethenyl)pent-2-enoic acid

(E)-2-(1-diazenylethenyl)pent-2-enoic acid (PubChem CID 89230666) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (E)-2-(1-diazenylethenyl)pent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(1-diazenylethenyl)pent-2-enoic acid
PubChem CID89230666
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(E)-2-(1-diazenylethenyl)pent-2-enoic acid
SMILES[H]/N=N/C(=C)/C(=C\CC)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-3-4-6(7(10)11)5(2)9-8/h4,8H,2-3H2,1H3,(H,10,11)/b6-4+,9-8+
InChIKeySLQRWUXZSOENEO-ICNYKPIKSA-N
XLogP1.95
TPSA73.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[(E)-1-aminoprop-1-enyl]-3-fluoropent-2-enoic acid
CID 118190049
6-Aminocyclohexa-1,5-diene-1-carboxylic acid
CID 68311737
(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid
CID 89021611
(2E,3E)-3-amino-2-ethylidenehexa-3,5-dienoic acid
CID 118592017
6-Diazenylcyclohexa-1,5-diene-1-carboxylic acid
CID 126517565
(2E,3E,5Z)-3-amino-2-ethylidenehepta-3,5-dienoic acid
CID 126576273
(E)-2-[(E)-1-aminoprop-1-enyl]-3-methylpent-2-enoic acid
CID 134554961
(2E,3E)-3-amino-2-ethylidenehexa-3,5-dienoic acid;ethane
CID 141797774
(2E)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienoic acid
CID 141982708
(E,2E)-3-amino-2-prop-2-enylidenehex-3-enoic acid
CID 142046886
(E,2E)-3-amino-2-propylidenehex-3-enoic acid;ethane
CID 142060703
(2E,3E,5Z)-3-amino-2-prop-2-enylidenehepta-3,5-dienoic acid
CID 142241419

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-diazenylethenyl)pent-2-enoic acid?
The IUPAC name of (E)-2-(1-diazenylethenyl)pent-2-enoic acid (CID 89230666) is (E)-2-(1-diazenylethenyl)pent-2-enoic acid.
What is the SMILES notation for (E)-2-(1-diazenylethenyl)pent-2-enoic acid?
The canonical SMILES for (E)-2-(1-diazenylethenyl)pent-2-enoic acid is [H]/N=N/C(=C)/C(=C\CC)C(=O)O.
What is the InChIKey of (E)-2-(1-diazenylethenyl)pent-2-enoic acid?
The InChIKey is SLQRWUXZSOENEO-ICNYKPIKSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-4-6(7(10)11)5(2)9-8/h4,8H,2-3H2,1H3,(H,10,11)/b6-4+,9-8+.
What are the key properties of (E)-2-(1-diazenylethenyl)pent-2-enoic acid?
(E)-2-(1-diazenylethenyl)pent-2-enoic acid has a molecular weight of 154.17 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-diazenylethenyl)pent-2-enoic acid is sourced from PubChem (CID 89230666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).