2-(propylhydrazinylidene)propanoic acid

C6H12N2O2 — CID 73183649

IUPAC2-(propylhydrazinylidene)propanoic acid
SMILESCCCNN=C(C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-3-4-7-8-5(2)6(9)10/h7H,3-4H2,1-2H3,(H,9,10)
InChIKeyKVSAELGSSIBOOY-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.45
Rot. Bonds4

About 2-(propylhydrazinylidene)propanoic acid

2-(propylhydrazinylidene)propanoic acid (PubChem CID 73183649) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(propylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name2-(propylhydrazinylidene)propanoic acid
PubChem CID73183649
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-(propylhydrazinylidene)propanoic acid
SMILESCCCNN=C(C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-3-4-7-8-5(2)6(9)10/h7H,3-4H2,1-2H3,(H,9,10)
InChIKeyKVSAELGSSIBOOY-UHFFFAOYSA-N
XLogP0.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.45
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-(octadecylhydrazinylidene)propanoic acid
CID 88766395
(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid
CID 88766045
(2Z)-2-[2-(2-ethoxyethoxy)ethylhydrazinylidene]propanoic acid
CID 88624650
2-[2-(2-ethoxyethoxy)ethylhydrazinylidene]propanoic acid
CID 88624653
2-propyliminopropanoic acid
CID 91004291
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide
CID 173467948
(2Z)-2-[2-[(E)-3-phenylbut-2-enoxy]ethylhydrazinylidene]propanoic acid
CID 88728677
2-(methylcarbamothioylhydrazinylidene)propanoic acid
CID 5000662
2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid
CID 173394968
2-(3-phenylprop-2-enylhydrazinylidene)propanoic acid
CID 73183669
(2Z)-2-(3-phenylbut-2-enylhydrazinylidene)propanoic acid
CID 5487804

Frequently Asked Questions

What is the IUPAC name of 2-(propylhydrazinylidene)propanoic acid?
The IUPAC name of 2-(propylhydrazinylidene)propanoic acid (CID 73183649) is 2-(propylhydrazinylidene)propanoic acid.
What is the SMILES notation for 2-(propylhydrazinylidene)propanoic acid?
The canonical SMILES for 2-(propylhydrazinylidene)propanoic acid is CCCNN=C(C)C(=O)O.
What is the InChIKey of 2-(propylhydrazinylidene)propanoic acid?
The InChIKey is KVSAELGSSIBOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-4-7-8-5(2)6(9)10/h7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(propylhydrazinylidene)propanoic acid?
2-(propylhydrazinylidene)propanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylhydrazinylidene)propanoic acid is sourced from PubChem (CID 73183649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).