6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one

C12H14N2O — CID 166021936

IUPAC6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one
SMILESCC(C)c1cnc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C12H14N2O/c1-7(2)8-5-9-10(13-6-8)12(3-4-12)11(15)14-9/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyOIEPQFLJRKXWIO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.19
Rot. Bonds1

About 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one

6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one (PubChem CID 166021936) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one
PubChem CID166021936
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one
SMILESCC(C)c1cnc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C12H14N2O/c1-7(2)8-5-9-10(13-6-8)12(3-4-12)11(15)14-9/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyOIEPQFLJRKXWIO-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one (CID 166021936) is 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one is CC(C)c1cnc2c(c1)NC(=O)C21CC1.
What is the InChIKey of 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one?
The InChIKey is OIEPQFLJRKXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7(2)8-5-9-10(13-6-8)12(3-4-12)11(15)14-9/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one?
6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 166021936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).