2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine

C10H16N2O — CID 173024567

IUPAC2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
SMILESCN1CCC(OC2C=CC=CN2)C1
InChIInChI=1S/C10H16N2O/c1-12-7-5-9(8-12)13-10-4-2-3-6-11-10/h2-4,6,9-11H,5,7-8H2,1H3
InChIKeyPCYONTHMMICLKR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.71
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine

2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine (PubChem CID 173024567) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
PubChem CID173024567
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
SMILESCN1CCC(OC2C=CC=CN2)C1
InChIInChI=1S/C10H16N2O/c1-12-7-5-9(8-12)13-10-4-2-3-6-11-10/h2-4,6,9-11H,5,7-8H2,1H3
InChIKeyPCYONTHMMICLKR-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium
CID 142287669
2-(2-Pyrrolidin-1-ylethoxy)-1,2-dihydropyridine
CID 144125909
5-(1-Methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
CID 173024593

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine (CID 173024567) is 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine is CN1CCC(OC2C=CC=CN2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
The InChIKey is PCYONTHMMICLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-7-5-9(8-12)13-10-4-2-3-6-11-10/h2-4,6,9-11H,5,7-8H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine has a molecular weight of 180.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine is sourced from PubChem (CID 173024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).