3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione

C4H4N2O3 — CID 123335703

IUPAC3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione
SMILESNNc1c(O)c(=O)c1=O
InChIInChI=1S/C4H4N2O3/c5-6-1-2(7)4(9)3(1)8/h6-7H,5H2
InChIKeyHMRHHBAIAORGJR-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.73
Rot. Bonds1

About 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione

3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione (PubChem CID 123335703) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione
PubChem CID123335703
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione
SMILESNNc1c(O)c(=O)c1=O
InChIInChI=1S/C4H4N2O3/c5-6-1-2(7)4(9)3(1)8/h6-7H,5H2
InChIKeyHMRHHBAIAORGJR-UHFFFAOYSA-N
XLogP-1.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione?
The IUPAC name of 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione (CID 123335703) is 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione is NNc1c(O)c(=O)c1=O.
What is the InChIKey of 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione?
The InChIKey is HMRHHBAIAORGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c5-6-1-2(7)4(9)3(1)8/h6-7H,5H2.
What are the key properties of 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione?
3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione has a molecular weight of 128.09 g/mol, XLogP of -1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-hydroxycyclobut-3-ene-1,2-dione is sourced from PubChem (CID 123335703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).