(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine

C11H13N3O — CID 46900144

IUPAC(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine
SMILESC=CCc1cccc2c1OCC(NN)=N2
InChIInChI=1S/C11H13N3O/c1-2-4-8-5-3-6-9-11(8)15-7-10(13-9)14-12/h2-3,5-6H,1,4,7,12H2,(H,13,14)
InChIKeyUIEACVLWTGQQTK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.30
Rot. Bonds2

About (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine

(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine (PubChem CID 46900144) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine.

Molecular Properties

Compound Name(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine
PubChem CID46900144
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine
SMILESC=CCc1cccc2c1OCC(NN)=N2
InChIInChI=1S/C11H13N3O/c1-2-4-8-5-3-6-9-11(8)15-7-10(13-9)14-12/h2-3,5-6H,1,4,7,12H2,(H,13,14)
InChIKeyUIEACVLWTGQQTK-UHFFFAOYSA-N
XLogP1.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine?
The IUPAC name of (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine (CID 46900144) is (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine.
What is the SMILES notation for (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine?
The canonical SMILES for (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine is C=CCc1cccc2c1OCC(NN)=N2.
What is the InChIKey of (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine?
The InChIKey is UIEACVLWTGQQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-8-5-3-6-9-11(8)15-7-10(13-9)14-12/h2-3,5-6H,1,4,7,12H2,(H,13,14).
What are the key properties of (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine?
(8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine has a molecular weight of 203.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-prop-2-enyl-2H-1,4-benzoxazin-3-yl)hydrazine is sourced from PubChem (CID 46900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).