cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid

C13H26N4O2 — CID 157428322

IUPACcyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid
SMILESCC(=NNC1CCCC1)C(=O)O.NNC1CCCC1
InChIInChI=1S/C8H14N2O2.C5H12N2/c1-6(8(11)12)9-10-7-4-2-3-5-7;6-7-5-3-1-2-4-5/h7,10H,2-5H2,1H3,(H,11,12);5,7H,1-4,6H2
InChIKeyBQFNSXFDTMITKF-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.37
Rot. Bonds4

About cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid

cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid (PubChem CID 157428322) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Namecyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid
PubChem CID157428322
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Namecyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid
SMILESCC(=NNC1CCCC1)C(=O)O.NNC1CCCC1
InChIInChI=1S/C8H14N2O2.C5H12N2/c1-6(8(11)12)9-10-7-4-2-3-5-7;6-7-5-3-1-2-4-5/h7,10H,2-5H2,1H3,(H,11,12);5,7H,1-4,6H2
InChIKeyBQFNSXFDTMITKF-UHFFFAOYSA-N
XLogP1.37
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid?
The IUPAC name of cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid (CID 157428322) is cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid.
What is the SMILES notation for cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid?
The canonical SMILES for cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid is CC(=NNC1CCCC1)C(=O)O.NNC1CCCC1.
What is the InChIKey of cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid?
The InChIKey is BQFNSXFDTMITKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C5H12N2/c1-6(8(11)12)9-10-7-4-2-3-5-7;6-7-5-3-1-2-4-5/h7,10H,2-5H2,1H3,(H,11,12);5,7H,1-4,6H2.
What are the key properties of cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid?
cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid has a molecular weight of 270.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylhydrazine;2-(cyclopentylhydrazinylidene)propanoic acid is sourced from PubChem (CID 157428322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).