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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Related Compounds

spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one;dihydrochloride
CID 67031434
1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 70997318
(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
CID 175969352
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 59166722
(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)azanide;rubidium(1+)
CID 59166744
1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 118888513
ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 143851646
1'-(4-amino-3-methoxyphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 118888506
(3S)-3'-iodospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58118681
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 66864917
3'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 123217091
5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 123788239

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).