2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene

C12H22N4O2S — CID 144957597

IUPAC2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene
SMILESCCCC(C/C(=N/N)NN)C(=O)O.Cc1cccs1
InChIInChI=1S/C7H16N4O2.C5H6S/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-5-3-2-4-6-5/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-4H,1H3
InChIKeyUCTNSGIMTJSSOH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.67
Rot. Bonds5

About 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene

2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene (PubChem CID 144957597) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene.

Molecular Properties

Compound Name2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene
PubChem CID144957597
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene
SMILESCCCC(C/C(=N/N)NN)C(=O)O.Cc1cccs1
InChIInChI=1S/C7H16N4O2.C5H6S/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-5-3-2-4-6-5/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-4H,1H3
InChIKeyUCTNSGIMTJSSOH-UHFFFAOYSA-N
XLogP1.67
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.67
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': 'imine_2', '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 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene?
The IUPAC name of 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene (CID 144957597) is 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene.
What is the SMILES notation for 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene?
The canonical SMILES for 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene is CCCC(C/C(=N/N)NN)C(=O)O.Cc1cccs1.
What is the InChIKey of 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene?
The InChIKey is UCTNSGIMTJSSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2.C5H6S/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-5-3-2-4-6-5/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-4H,1H3.
What are the key properties of 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene?
2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene has a molecular weight of 286.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene is sourced from PubChem (CID 144957597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).