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

C10H16N4O2 — CID 134398073

IUPAC3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESC=CCON1C(=O)N2CC(NNC)=CC1C2
InChIInChI=1S/C10H16N4O2/c1-3-4-16-14-9-5-8(12-11-2)6-13(7-9)10(14)15/h3,5,9,11-12H,1,4,6-7H2,2H3
InChIKeyOVERJFOEOUHCMS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.17
Rot. Bonds5

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

3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 134398073) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
PubChem CID134398073
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESC=CCON1C(=O)N2CC(NNC)=CC1C2
InChIInChI=1S/C10H16N4O2/c1-3-4-16-14-9-5-8(12-11-2)6-13(7-9)10(14)15/h3,5,9,11-12H,1,4,6-7H2,2H3
InChIKeyOVERJFOEOUHCMS-UHFFFAOYSA-N
XLogP-0.17
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (CID 134398073) is 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is C=CCON1C(=O)N2CC(NNC)=CC1C2.
What is the InChIKey of 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is OVERJFOEOUHCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-4-16-14-9-5-8(12-11-2)6-13(7-9)10(14)15/h3,5,9,11-12H,1,4,6-7H2,2H3.
What are the key properties of 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 224.26 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhydrazinyl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 134398073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).