3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane

C12H21NO — CID 90688913

IUPAC3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane
SMILESCC.CC.c1cnc2c(c1)CCCO2
InChIInChI=1S/C8H9NO.2C2H6/c1-3-7-4-2-6-10-8(7)9-5-1;2*1-2/h1,3,5H,2,4,6H2;2*1-2H3
InChIKeyPJTTTYUSEXQHSG-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.46
Rot. Bonds

About 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane

3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane (PubChem CID 90688913) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane
PubChem CID90688913
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane
SMILESCC.CC.c1cnc2c(c1)CCCO2
InChIInChI=1S/C8H9NO.2C2H6/c1-3-7-4-2-6-10-8(7)9-5-1;2*1-2/h1,3,5H,2,4,6H2;2*1-2H3
InChIKeyPJTTTYUSEXQHSG-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane?
The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane (CID 90688913) is 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane?
The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane is CC.CC.c1cnc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane?
The InChIKey is PJTTTYUSEXQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.2C2H6/c1-3-7-4-2-6-10-8(7)9-5-1;2*1-2/h1,3,5H,2,4,6H2;2*1-2H3.
What are the key properties of 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane?
3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane has a molecular weight of 195.31 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[2,3-b]pyridine;ethane is sourced from PubChem (CID 90688913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).