7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine

C11H15NO — CID 90442140

IUPAC7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine
SMILESCC(C)c1cnc2c(c1)OCCC2
InChIInChI=1S/C11H15NO/c1-8(2)9-6-11-10(12-7-9)4-3-5-13-11/h6-8H,3-5H2,1-2H3
InChIKeyRBSGDVGJHQGHKL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.53
Rot. Bonds1

About 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine

7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine (PubChem CID 90442140) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine.

Molecular Properties

Compound Name7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine
PubChem CID90442140
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine
SMILESCC(C)c1cnc2c(c1)OCCC2
InChIInChI=1S/C11H15NO/c1-8(2)9-6-11-10(12-7-9)4-3-5-13-11/h6-8H,3-5H2,1-2H3
InChIKeyRBSGDVGJHQGHKL-UHFFFAOYSA-N
XLogP2.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The IUPAC name of 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine (CID 90442140) is 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine.
What is the SMILES notation for 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The canonical SMILES for 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine is CC(C)c1cnc2c(c1)OCCC2.
What is the InChIKey of 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The InChIKey is RBSGDVGJHQGHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)9-6-11-10(12-7-9)4-3-5-13-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine has a molecular weight of 177.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine is sourced from PubChem (CID 90442140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).