2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine

C13H17NO — CID 118124536

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(C2=CCOCC2)n1
InChIInChI=1S/C13H17NO/c1-10(2)12-4-3-5-13(14-12)11-6-8-15-9-7-11/h3-6,10H,7-9H2,1-2H3
InChIKeyCCMMNIAIYISNRF-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.01
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine

2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine (PubChem CID 118124536) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine
PubChem CID118124536
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(C2=CCOCC2)n1
InChIInChI=1S/C13H17NO/c1-10(2)12-4-3-5-13(14-12)11-6-8-15-9-7-11/h3-6,10H,7-9H2,1-2H3
InChIKeyCCMMNIAIYISNRF-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine (CID 118124536) is 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine is CC(C)c1cccc(C2=CCOCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine?
The InChIKey is CCMMNIAIYISNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)12-4-3-5-13(14-12)11-6-8-15-9-7-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine?
2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine has a molecular weight of 203.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine is sourced from PubChem (CID 118124536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).