5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine

C10H13NO — CID 90688633

IUPAC5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine
SMILESC=C1CCOC2=CC=CN(C)C12
InChIInChI=1S/C10H13NO/c1-8-5-7-12-9-4-3-6-11(2)10(8)9/h3-4,6,10H,1,5,7H2,2H3
InChIKeyHSLXMWRBLNEGMZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.67
Rot. Bonds

About 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine

5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine (PubChem CID 90688633) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine.

Molecular Properties

Compound Name5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine
PubChem CID90688633
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine
SMILESC=C1CCOC2=CC=CN(C)C12
InChIInChI=1S/C10H13NO/c1-8-5-7-12-9-4-3-6-11(2)10(8)9/h3-4,6,10H,1,5,7H2,2H3
InChIKeyHSLXMWRBLNEGMZ-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine?
The IUPAC name of 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine (CID 90688633) is 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine.
What is the SMILES notation for 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine?
The canonical SMILES for 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine is C=C1CCOC2=CC=CN(C)C12.
What is the InChIKey of 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine?
The InChIKey is HSLXMWRBLNEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-5-7-12-9-4-3-6-11(2)10(8)9/h3-4,6,10H,1,5,7H2,2H3.
What are the key properties of 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine?
5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-3,4a-dihydro-2H-pyrano[3,2-b]pyridine is sourced from PubChem (CID 90688633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).