6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

C7H12N4O2 — CID 167112477

IUPAC6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESCNNC1=CC2CN(C1)C(=O)N2O
InChIInChI=1S/C7H12N4O2/c1-8-9-5-2-6-4-10(3-5)7(12)11(6)13/h2,6,8-9,13H,3-4H2,1H3
InChIKeyZSTMUSSNCABGIZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.90
Rot. Bonds2

About 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 167112477) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
PubChem CID167112477
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESCNNC1=CC2CN(C1)C(=O)N2O
InChIInChI=1S/C7H12N4O2/c1-8-9-5-2-6-4-10(3-5)7(12)11(6)13/h2,6,8-9,13H,3-4H2,1H3
InChIKeyZSTMUSSNCABGIZ-UHFFFAOYSA-N
XLogP-0.90
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 134398073
1,2,3,3a,4,6-Hexahydrotriazolo[4,5-c]pyridine-5-carboxamide
CID 176006185

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (CID 167112477) is 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is CNNC1=CC2CN(C1)C(=O)N2O.
What is the InChIKey of 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is ZSTMUSSNCABGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-8-9-5-2-6-4-10(3-5)7(12)11(6)13/h2,6,8-9,13H,3-4H2,1H3.
What are the key properties of 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 184.20 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 167112477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).