5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine

C8H11NO — CID 91475611

IUPAC5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine
SMILESC=C1CNC2OC=CC2C1
InChIInChI=1S/C8H11NO/c1-6-4-7-2-3-10-8(7)9-5-6/h2-3,7-9H,1,4-5H2
InChIKeyBHHZOHJOUQFAIW-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.02
Rot. Bonds

About 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine

5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine (PubChem CID 91475611) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine
PubChem CID91475611
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine
SMILESC=C1CNC2OC=CC2C1
InChIInChI=1S/C8H11NO/c1-6-4-7-2-3-10-8(7)9-5-6/h2-3,7-9H,1,4-5H2
InChIKeyBHHZOHJOUQFAIW-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-3-methyl-5-methylidenepiperidine
CID 91145347

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine?
The IUPAC name of 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine (CID 91475611) is 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine.
What is the SMILES notation for 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine?
The canonical SMILES for 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine is C=C1CNC2OC=CC2C1.
What is the InChIKey of 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine?
The InChIKey is BHHZOHJOUQFAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-7-2-3-10-8(7)9-5-6/h2-3,7-9H,1,4-5H2.
What are the key properties of 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine?
5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine has a molecular weight of 137.18 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4,6,7,7a-tetrahydro-3aH-furo[2,3-b]pyridine is sourced from PubChem (CID 91475611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).