5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]

C13H18N2 — CID 146536934

IUPAC5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
SMILESCCc1cnc2c(c1)C1(CN2)CC(C)C1
InChIInChI=1S/C13H18N2/c1-3-10-4-11-12(14-7-10)15-8-13(11)5-9(2)6-13/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15)
InChIKeyJTAGKKKWUKXXLB-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.74
Rot. Bonds1

About 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]

5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] (PubChem CID 146536934) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane].

Molecular Properties

Compound Name5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
PubChem CID146536934
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
SMILESCCc1cnc2c(c1)C1(CN2)CC(C)C1
InChIInChI=1S/C13H18N2/c1-3-10-4-11-12(14-7-10)15-8-13(11)5-9(2)6-13/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15)
InChIKeyJTAGKKKWUKXXLB-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] 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 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
The IUPAC name of 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] (CID 146536934) is 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane].
What is the SMILES notation for 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
The canonical SMILES for 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] is CCc1cnc2c(c1)C1(CN2)CC(C)C1.
What is the InChIKey of 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
The InChIKey is JTAGKKKWUKXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-10-4-11-12(14-7-10)15-8-13(11)5-9(2)6-13/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]?
5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] has a molecular weight of 202.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane] is sourced from PubChem (CID 146536934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).