7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine

C8H13NO2 — CID 91240622

IUPAC7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine
SMILESC=C1CNC2OCCOC2C1
InChIInChI=1S/C8H13NO2/c1-6-4-7-8(9-5-6)11-3-2-10-7/h7-9H,1-5H2
InChIKeySCAGYBQYPTWZQG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.28
Rot. Bonds

About 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine

7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine (PubChem CID 91240622) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine
PubChem CID91240622
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine
SMILESC=C1CNC2OCCOC2C1
InChIInChI=1S/C8H13NO2/c1-6-4-7-8(9-5-6)11-3-2-10-7/h7-9H,1-5H2
InChIKeySCAGYBQYPTWZQG-UHFFFAOYSA-N
XLogP0.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethoxy-5-methylidenepiperidine
CID 123941739

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine (CID 91240622) is 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine is C=C1CNC2OCCOC2C1.
What is the InChIKey of 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is SCAGYBQYPTWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-4-7-8(9-5-6)11-3-2-10-7/h7-9H,1-5H2.
What are the key properties of 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine?
7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 155.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-3,4a,5,6,8,8a-hexahydro-2H-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 91240622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).