formazan;2-methylprop-2-enoic acid

C5H10N4O2 — CID 159809417

IUPACformazan;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.[H]/N=N/C=NN
InChIInChI=1S/C4H6O2.CH4N4/c1-3(2)4(5)6;2-4-1-5-3/h1H2,2H3,(H,5,6);1-2H,3H2/b;4-2+,5-1?
InChIKeyNKVGXFZHMFEZEL-CTELUNINSA-N
MW158.16 g/mol
LogP0.57
Rot. Bonds2

About formazan;2-methylprop-2-enoic acid

formazan;2-methylprop-2-enoic acid (PubChem CID 159809417) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is formazan;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameformazan;2-methylprop-2-enoic acid
PubChem CID159809417
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Nameformazan;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.[H]/N=N/C=NN
InChIInChI=1S/C4H6O2.CH4N4/c1-3(2)4(5)6;2-4-1-5-3/h1H2,2H3,(H,5,6);1-2H,3H2/b;4-2+,5-1?
InChIKeyNKVGXFZHMFEZEL-CTELUNINSA-N
XLogP0.57
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze formazan;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formazan;propan-2-one
CID 157309137
formazan;2-hydroxy-2-methylpropanoic acid
CID 158353777
ethanimine;2-methylprop-2-enoic acid
CID 175333202
formazan;phenol
CID 77324270
N-ethylethanamine;formazan;hydrochloride
CID 172862679
ethenamine;2-methylprop-2-enoic acid
CID 18702482
benzene;benzene-1,2-diamine;formazan
CID 158623195
2-chloro-3-methyloxirane;formazan
CID 174932645
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
CID 131883821
CID 131883821
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293

Frequently Asked Questions

What is the IUPAC name of formazan;2-methylprop-2-enoic acid?
The IUPAC name of formazan;2-methylprop-2-enoic acid (CID 159809417) is formazan;2-methylprop-2-enoic acid.
What is the SMILES notation for formazan;2-methylprop-2-enoic acid?
The canonical SMILES for formazan;2-methylprop-2-enoic acid is C=C(C)C(=O)O.[H]/N=N/C=NN.
What is the InChIKey of formazan;2-methylprop-2-enoic acid?
The InChIKey is NKVGXFZHMFEZEL-CTELUNINSA-N. The full InChI is InChI=1S/C4H6O2.CH4N4/c1-3(2)4(5)6;2-4-1-5-3/h1H2,2H3,(H,5,6);1-2H,3H2/b;4-2+,5-1?.
What are the key properties of formazan;2-methylprop-2-enoic acid?
formazan;2-methylprop-2-enoic acid has a molecular weight of 158.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formazan;2-methylprop-2-enoic acid is sourced from PubChem (CID 159809417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).