4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine

C10H13NO — CID 123729020

IUPAC4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=COC(C2=CCNCC2)=CC1
InChIInChI=1S/C10H13NO/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h2-4,8,11H,1,5-7H2
InChIKeyNNFNQYNAKOCTEA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.72
Rot. Bonds1

About 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine

4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 123729020) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID123729020
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=COC(C2=CCNCC2)=CC1
InChIInChI=1S/C10H13NO/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h2-4,8,11H,1,5-7H2
InChIKeyNNFNQYNAKOCTEA-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine (CID 123729020) is 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine is C1=COC(C2=CCNCC2)=CC1.
What is the InChIKey of 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is NNFNQYNAKOCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-12-10(3-1)9-4-6-11-7-5-9/h2-4,8,11H,1,5-7H2.
What are the key properties of 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine?
4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 163.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-pyran-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123729020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).