3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine

C10H17NO — CID 172758156

IUPAC3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.C1=COCCC1
InChIInChI=1S/C5H9N.C5H8O/c2*1-2-4-6-5-3-1/h2,4,6H,1,3,5H2;2,4H,1,3,5H2
InChIKeyLHVGRTDFLJYWAE-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.19
Rot. Bonds

About 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine

3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine (PubChem CID 172758156) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine
PubChem CID172758156
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.C1=COCCC1
InChIInChI=1S/C5H9N.C5H8O/c2*1-2-4-6-5-3-1/h2,4,6H,1,3,5H2;2,4H,1,3,5H2
InChIKeyLHVGRTDFLJYWAE-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine?
The IUPAC name of 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine (CID 172758156) is 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine is C1=CNCCC1.C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine?
The InChIKey is LHVGRTDFLJYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C5H8O/c2*1-2-4-6-5-3-1/h2,4,6H,1,3,5H2;2,4H,1,3,5H2.
What are the key properties of 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine?
3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine has a molecular weight of 167.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 172758156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).