spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one

C12H14N2O — CID 90379626

IUPACspiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ncccc2C12CCCCC2
InChIInChI=1S/C12H14N2O/c15-11-12(6-2-1-3-7-12)9-5-4-8-13-10(9)14-11/h4-5,8H,1-3,6-7H2,(H,13,14,15)
InChIKeyXSZXZTSQAWPBRM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.24
Rot. Bonds

About spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one

spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one (PubChem CID 90379626) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Namespiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
PubChem CID90379626
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Namespiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ncccc2C12CCCCC2
InChIInChI=1S/C12H14N2O/c15-11-12(6-2-1-3-7-12)9-5-4-8-13-10(9)14-11/h4-5,8H,1-3,6-7H2,(H,13,14,15)
InChIKeyXSZXZTSQAWPBRM-UHFFFAOYSA-N
XLogP2.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one?
The IUPAC name of spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one (CID 90379626) is spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one.
What is the SMILES notation for spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one?
The canonical SMILES for spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one is O=C1Nc2ncccc2C12CCCCC2.
What is the InChIKey of spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one?
The InChIKey is XSZXZTSQAWPBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-11-12(6-2-1-3-7-12)9-5-4-8-13-10(9)14-11/h4-5,8H,1-3,6-7H2,(H,13,14,15).
What are the key properties of spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one?
spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 90379626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).