5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine

C10H16N2O — CID 173024593

IUPAC5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
SMILESCN1CCC(OC2=CNCC=C2)C1
InChIInChI=1S/C10H16N2O/c1-12-6-4-10(8-12)13-9-3-2-5-11-7-9/h2-3,7,10-11H,4-6,8H2,1H3
InChIKeyKKTQFNUUEJSDCJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.71
Rot. Bonds2

About 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine

5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine (PubChem CID 173024593) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
PubChem CID173024593
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
SMILESCN1CCC(OC2=CNCC=C2)C1
InChIInChI=1S/C10H16N2O/c1-12-6-4-10(8-12)13-9-3-2-5-11-7-9/h2-3,7,10-11H,4-6,8H2,1H3
InChIKeyKKTQFNUUEJSDCJ-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

Analyze 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Pyrrolidin-1-ylethoxy)-1,2-dihydropyridine
CID 144125909
(2E,4Z)-6-(2-pyrrolidin-1-ylethoxy)hepta-2,4,6-trien-3-amine
CID 146187107
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypyrrolidine
CID 156375703
2-(1-Methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
CID 173024567

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
The IUPAC name of 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine (CID 173024593) is 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine.
What is the SMILES notation for 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
The canonical SMILES for 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine is CN1CCC(OC2=CNCC=C2)C1.
What is the InChIKey of 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
The InChIKey is KKTQFNUUEJSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-6-4-10(8-12)13-9-3-2-5-11-7-9/h2-3,7,10-11H,4-6,8H2,1H3.
What are the key properties of 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine?
5-(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 5-(1-methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine is sourced from PubChem (CID 173024593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).