2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid

C13H16N2O2 — CID 173394968

IUPAC2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid
SMILESCC(=NNC/C=C(\C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-10(12-6-4-3-5-7-12)8-9-14-15-11(2)13(16)17/h3-8,14H,9H2,1-2H3,(H,16,17)/b10-8+,15-11?
InChIKeyGBICOXAPNWYSMS-BTIHMXIBSA-N
MW232.28 g/mol
LogP2.14
Rot. Bonds5

About 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid

2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid (PubChem CID 173394968) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid
PubChem CID173394968
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid
SMILESCC(=NNC/C=C(\C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-10(12-6-4-3-5-7-12)8-9-14-15-11(2)13(16)17/h3-8,14H,9H2,1-2H3,(H,16,17)/b10-8+,15-11?
InChIKeyGBICOXAPNWYSMS-BTIHMXIBSA-N
XLogP2.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(3-phenylbut-2-enylhydrazinylidene)propanoic acid
CID 5487804
(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid
CID 88728677
2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid
CID 73183669
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
CID 135060356
[(E)-4-phenylpent-3-enyl] hydrogen carbonate
CID 70193695
4-phenylpent-3-en-2-one
CID 594380
2-(3-phenacyliminobutan-2-ylideneamino)-1-phenylethanone
CID 58611626
1-iodoprop-1-en-2-ylbenzene
CID 54065087
(E)-3-phenyl-N-prop-2-enylbut-2-enamide
CID 6435359
ethane;4-phenylpent-3-en-2-one
CID 123324566

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid?
The IUPAC name of 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid (CID 173394968) is 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid.
What is the SMILES notation for 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid?
The canonical SMILES for 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid is CC(=NNC/C=C(\C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid?
The InChIKey is GBICOXAPNWYSMS-BTIHMXIBSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(12-6-4-3-5-7-12)8-9-14-15-11(2)13(16)17/h3-8,14H,9H2,1-2H3,(H,16,17)/b10-8+,15-11?.
What are the key properties of 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid?
2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid is sourced from PubChem (CID 173394968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).