4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine

C14H19NO — CID 145393840

IUPAC4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine
SMILESCC/C=C(\C)N1C=CC=C2OCCC(C)=C21
InChIInChI=1S/C14H19NO/c1-4-6-12(3)15-9-5-7-13-14(15)11(2)8-10-16-13/h5-7,9H,4,8,10H2,1-3H3/b12-6+
InChIKeyGFQYQVNSXOPYAG-WUXMJOGZSA-N
MW217.31 g/mol
LogP3.71
Rot. Bonds2

About 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine

4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine (PubChem CID 145393840) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine.

Molecular Properties

Compound Name4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine
PubChem CID145393840
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine
SMILESCC/C=C(\C)N1C=CC=C2OCCC(C)=C21
InChIInChI=1S/C14H19NO/c1-4-6-12(3)15-9-5-7-13-14(15)11(2)8-10-16-13/h5-7,9H,4,8,10H2,1-3H3/b12-6+
InChIKeyGFQYQVNSXOPYAG-WUXMJOGZSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine?
The IUPAC name of 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine (CID 145393840) is 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine.
What is the SMILES notation for 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine?
The canonical SMILES for 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine is CC/C=C(\C)N1C=CC=C2OCCC(C)=C21.
What is the InChIKey of 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine?
The InChIKey is GFQYQVNSXOPYAG-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-6-12(3)15-9-5-7-13-14(15)11(2)8-10-16-13/h5-7,9H,4,8,10H2,1-3H3/b12-6+.
What are the key properties of 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine?
4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine has a molecular weight of 217.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine is sourced from PubChem (CID 145393840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).