5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine

C10H13NO — CID 130280747

IUPAC5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine
SMILESC1=NCCC=C1C1=COCCC1
InChIInChI=1S/C10H13NO/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h3,7-8H,1-2,4-6H2
InChIKeyWFEBCEDDLLFYEU-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.08
Rot. Bonds1

About 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine

5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine (PubChem CID 130280747) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine
PubChem CID130280747
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine
SMILESC1=NCCC=C1C1=COCCC1
InChIInChI=1S/C10H13NO/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h3,7-8H,1-2,4-6H2
InChIKeyWFEBCEDDLLFYEU-UHFFFAOYSA-N
XLogP2.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine (CID 130280747) is 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine is C1=NCCC=C1C1=COCCC1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine?
The InChIKey is WFEBCEDDLLFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h3,7-8H,1-2,4-6H2.
What are the key properties of 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine?
5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine has a molecular weight of 163.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-5-yl)-2,3-dihydropyridine is sourced from PubChem (CID 130280747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).