2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine

C13H21NO — CID 145116693

IUPAC2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine
SMILESC=C(C1=C(C)CC(C)NC1)C1CCCO1
InChIInChI=1S/C13H21NO/c1-9-7-10(2)14-8-12(9)11(3)13-5-4-6-15-13/h10,13-14H,3-8H2,1-2H3
InChIKeyWZTODVLMBHNRQH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds2

About 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine

2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 145116693) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine
PubChem CID145116693
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine
SMILESC=C(C1=C(C)CC(C)NC1)C1CCCO1
InChIInChI=1S/C13H21NO/c1-9-7-10(2)14-8-12(9)11(3)13-5-4-6-15-13/h10,13-14H,3-8H2,1-2H3
InChIKeyWZTODVLMBHNRQH-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine (CID 145116693) is 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine is C=C(C1=C(C)CC(C)NC1)C1CCCO1.
What is the InChIKey of 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is WZTODVLMBHNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-7-10(2)14-8-12(9)11(3)13-5-4-6-15-13/h10,13-14H,3-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 207.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 145116693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).