5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one

C14H18N2O2 — CID 168926234

IUPAC5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one
SMILESCC(C)COc1cnc2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-9(2)8-18-10-6-11-12(15-7-10)16-13(17)14(11)4-3-5-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyDPCLYYHZYAQRRA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds3

About 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one

5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one (PubChem CID 168926234) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one
PubChem CID168926234
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one
SMILESCC(C)COc1cnc2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-9(2)8-18-10-6-11-12(15-7-10)16-13(17)14(11)4-3-5-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyDPCLYYHZYAQRRA-UHFFFAOYSA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one (CID 168926234) is 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one is CC(C)COc1cnc2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one?
The InChIKey is DPCLYYHZYAQRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)8-18-10-6-11-12(15-7-10)16-13(17)14(11)4-3-5-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one?
5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 168926234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).