2-(4H-pyran-2-yl)-1,4-dihydropyridine

C10H11NO — CID 134442805

IUPAC2-(4H-pyran-2-yl)-1,4-dihydropyridine
SMILESC1=CNC(C2=CCC=CO2)=CC1
InChIInChI=1S/C10H11NO/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h3-8,11H,1-2H2
InChIKeyUXEHTXGMHLQQHS-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.20
Rot. Bonds1

About 2-(4H-pyran-2-yl)-1,4-dihydropyridine

2-(4H-pyran-2-yl)-1,4-dihydropyridine (PubChem CID 134442805) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(4H-pyran-2-yl)-1,4-dihydropyridine.

Molecular Properties

Compound Name2-(4H-pyran-2-yl)-1,4-dihydropyridine
PubChem CID134442805
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(4H-pyran-2-yl)-1,4-dihydropyridine
SMILESC1=CNC(C2=CCC=CO2)=CC1
InChIInChI=1S/C10H11NO/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h3-8,11H,1-2H2
InChIKeyUXEHTXGMHLQQHS-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-pyran-2-yl)-1,4-dihydropyridine?
The IUPAC name of 2-(4H-pyran-2-yl)-1,4-dihydropyridine (CID 134442805) is 2-(4H-pyran-2-yl)-1,4-dihydropyridine.
What is the SMILES notation for 2-(4H-pyran-2-yl)-1,4-dihydropyridine?
The canonical SMILES for 2-(4H-pyran-2-yl)-1,4-dihydropyridine is C1=CNC(C2=CCC=CO2)=CC1.
What is the InChIKey of 2-(4H-pyran-2-yl)-1,4-dihydropyridine?
The InChIKey is UXEHTXGMHLQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h3-8,11H,1-2H2.
What are the key properties of 2-(4H-pyran-2-yl)-1,4-dihydropyridine?
2-(4H-pyran-2-yl)-1,4-dihydropyridine has a molecular weight of 161.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-pyran-2-yl)-1,4-dihydropyridine is sourced from PubChem (CID 134442805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).