4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine

C11H17NO — CID 123982386

IUPAC4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
SMILESCC(C)C1=CCOC2=C1CCNC2
InChIInChI=1S/C11H17NO/c1-8(2)9-4-6-13-11-7-12-5-3-10(9)11/h4,8,12H,3,5-7H2,1-2H3
InChIKeyHRLFJNWYSFMWEM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.85
Rot. Bonds1

About 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine

4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine (PubChem CID 123982386) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
PubChem CID123982386
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
SMILESCC(C)C1=CCOC2=C1CCNC2
InChIInChI=1S/C11H17NO/c1-8(2)9-4-6-13-11-7-12-5-3-10(9)11/h4,8,12H,3,5-7H2,1-2H3
InChIKeyHRLFJNWYSFMWEM-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine?
The IUPAC name of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine (CID 123982386) is 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine.
What is the SMILES notation for 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine?
The canonical SMILES for 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine is CC(C)C1=CCOC2=C1CCNC2.
What is the InChIKey of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine?
The InChIKey is HRLFJNWYSFMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)9-4-6-13-11-7-12-5-3-10(9)11/h4,8,12H,3,5-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine?
4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine has a molecular weight of 179.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine is sourced from PubChem (CID 123982386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).