diazenyl 2-methylprop-2-enoate

C4H6N2O2 — CID 174897093

IUPACdiazenyl 2-methylprop-2-enoate
SMILES[H]/N=N/OC(=O)C(=C)C
InChIInChI=1S/C4H6N2O2/c1-3(2)4(7)8-6-5/h5H,1H2,2H3/b6-5+
InChIKeyFRZFWBCQGBTRMP-AATRIKPKSA-N
MW114.10 g/mol
LogP1.05
Rot. Bonds2

About diazenyl 2-methylprop-2-enoate

diazenyl 2-methylprop-2-enoate (PubChem CID 174897093) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is diazenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namediazenyl 2-methylprop-2-enoate
PubChem CID174897093
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Namediazenyl 2-methylprop-2-enoate
SMILES[H]/N=N/OC(=O)C(=C)C
InChIInChI=1S/C4H6N2O2/c1-3(2)4(7)8-6-5/h5H,1H2,2H3/b6-5+
InChIKeyFRZFWBCQGBTRMP-AATRIKPKSA-N
XLogP1.05
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 51.05
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diazenyl 3-diazenyl-2-methylprop-2-enoate
CID 91240647
(diaminomethylideneamino) 2-methylprop-2-enoate
CID 87840247
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
CID 173073791
[carbamimidoyl(2-methylprop-2-enoyl)amino] 2-methylprop-2-enoate
CID 142771610
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
CID 174983708
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of diazenyl 2-methylprop-2-enoate?
The IUPAC name of diazenyl 2-methylprop-2-enoate (CID 174897093) is diazenyl 2-methylprop-2-enoate.
What is the SMILES notation for diazenyl 2-methylprop-2-enoate?
The canonical SMILES for diazenyl 2-methylprop-2-enoate is [H]/N=N/OC(=O)C(=C)C.
What is the InChIKey of diazenyl 2-methylprop-2-enoate?
The InChIKey is FRZFWBCQGBTRMP-AATRIKPKSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3(2)4(7)8-6-5/h5H,1H2,2H3/b6-5+.
What are the key properties of diazenyl 2-methylprop-2-enoate?
diazenyl 2-methylprop-2-enoate has a molecular weight of 114.10 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazenyl 2-methylprop-2-enoate is sourced from PubChem (CID 174897093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).