(2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid

C10H16N2O2 — CID 170230041

IUPAC(2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid
SMILESC/C=C/C(=C\C=C\CNNC)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-3-6-9(10(13)14)7-4-5-8-12-11-2/h3-7,11-12H,8H2,1-2H3,(H,13,14)/b5-4+,6-3+,9-7+
InChIKeyUHVFCMLHYBETLN-AJZLCKCGSA-N
MW196.25 g/mol
LogP0.85
Rot. Bonds6

About (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid

(2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid (PubChem CID 170230041) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid
PubChem CID170230041
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid
SMILESC/C=C/C(=C\C=C\CNNC)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-3-6-9(10(13)14)7-4-5-8-12-11-2/h3-7,11-12H,8H2,1-2H3,(H,13,14)/b5-4+,6-3+,9-7+
InChIKeyUHVFCMLHYBETLN-AJZLCKCGSA-N
XLogP0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid (CID 170230041) is (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid is C/C=C/C(=C\C=C\CNNC)C(=O)O.
What is the InChIKey of (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid?
The InChIKey is UHVFCMLHYBETLN-AJZLCKCGSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-6-9(10(13)14)7-4-5-8-12-11-2/h3-7,11-12H,8H2,1-2H3,(H,13,14)/b5-4+,6-3+,9-7+.
What are the key properties of (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid?
(2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid has a molecular weight of 196.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-(2-methylhydrazinyl)-2-[(E)-prop-1-enyl]hexa-2,4-dienoic acid is sourced from PubChem (CID 170230041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).