(Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine

C6H9NO2 — CID 118056241

IUPAC(Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine
SMILESN/C=C\C1=CCOOC1
InChIInChI=1S/C6H9NO2/c7-3-1-6-2-4-8-9-5-6/h1-3H,4-5,7H2/b3-1-
InChIKeyVWWKIRMIMXFGNO-IWQZZHSRSA-N
MW127.14 g/mol
LogP0.35
Rot. Bonds1

About (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine

(Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine (PubChem CID 118056241) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine
PubChem CID118056241
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine
SMILESN/C=C\C1=CCOOC1
InChIInChI=1S/C6H9NO2/c7-3-1-6-2-4-8-9-5-6/h1-3H,4-5,7H2/b3-1-
InChIKeyVWWKIRMIMXFGNO-IWQZZHSRSA-N
XLogP0.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine?
The IUPAC name of (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine (CID 118056241) is (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine.
What is the SMILES notation for (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine?
The canonical SMILES for (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine is N/C=C\C1=CCOOC1.
What is the InChIKey of (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine?
The InChIKey is VWWKIRMIMXFGNO-IWQZZHSRSA-N. The full InChI is InChI=1S/C6H9NO2/c7-3-1-6-2-4-8-9-5-6/h1-3H,4-5,7H2/b3-1-.
What are the key properties of (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine?
(Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine has a molecular weight of 127.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,6-dihydro-1,2-dioxin-4-yl)ethenamine is sourced from PubChem (CID 118056241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).