2-cyclobutyloxy-1,2-dihydropyridine

C9H13NO — CID 173177352

IUPAC2-cyclobutyloxy-1,2-dihydropyridine
SMILESC1=CNC(OC2CCC2)C=C1
InChIInChI=1S/C9H13NO/c1-2-7-10-9(6-1)11-8-4-3-5-8/h1-2,6-10H,3-5H2
InChIKeyRTDGRGJFUIVKCB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds2

About 2-cyclobutyloxy-1,2-dihydropyridine

2-cyclobutyloxy-1,2-dihydropyridine (PubChem CID 173177352) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-cyclobutyloxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-cyclobutyloxy-1,2-dihydropyridine
PubChem CID173177352
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-cyclobutyloxy-1,2-dihydropyridine
SMILESC1=CNC(OC2CCC2)C=C1
InChIInChI=1S/C9H13NO/c1-2-7-10-9(6-1)11-8-4-3-5-8/h1-2,6-10H,3-5H2
InChIKeyRTDGRGJFUIVKCB-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyloxy-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1,2-dihydropyridine?
The IUPAC name of 2-cyclobutyloxy-1,2-dihydropyridine (CID 173177352) is 2-cyclobutyloxy-1,2-dihydropyridine.
What is the SMILES notation for 2-cyclobutyloxy-1,2-dihydropyridine?
The canonical SMILES for 2-cyclobutyloxy-1,2-dihydropyridine is C1=CNC(OC2CCC2)C=C1.
What is the InChIKey of 2-cyclobutyloxy-1,2-dihydropyridine?
The InChIKey is RTDGRGJFUIVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-7-10-9(6-1)11-8-4-3-5-8/h1-2,6-10H,3-5H2.
What are the key properties of 2-cyclobutyloxy-1,2-dihydropyridine?
2-cyclobutyloxy-1,2-dihydropyridine has a molecular weight of 151.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1,2-dihydropyridine is sourced from PubChem (CID 173177352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).