1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C11H14N4O — CID 70997318

IUPAC1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESNN1CCC2(CC1)C(=O)Nc1ncccc12
InChIInChI=1S/C11H14N4O/c12-15-6-3-11(4-7-15)8-2-1-5-13-9(8)14-10(11)16/h1-2,5H,3-4,6-7,12H2,(H,13,14,16)
InChIKeyTULBPLVRCOEFQC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.24
Rot. Bonds

About 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 70997318) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID70997318
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESNN1CCC2(CC1)C(=O)Nc1ncccc12
InChIInChI=1S/C11H14N4O/c12-15-6-3-11(4-7-15)8-2-1-5-13-9(8)14-10(11)16/h1-2,5H,3-4,6-7,12H2,(H,13,14,16)
InChIKeyTULBPLVRCOEFQC-UHFFFAOYSA-N
XLogP0.24
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-
CID 368650
1-Phenyl-N-2-pyridinylcyclopentanecarboxamide
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3,6-Dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 10014479
6-Methyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 10398747
3-[4-(4-Pyridin-2-yl-piperazine-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one
CID 11667458
3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
CID 54758295
2-Pyridin-2-yl-4-pyridin-3-yl-1,2-dihydro-3H-pyrazol-3-one
CID 59186947
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66556402
2-phenyl-N-pyridin-2-ylpropanamide
CID 3107581
(3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 122182252
(3Z)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 168276835
5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 15504063

Frequently Asked Questions

What is the IUPAC name of 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 70997318) is 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is NN1CCC2(CC1)C(=O)Nc1ncccc12.
What is the InChIKey of 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is TULBPLVRCOEFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-15-6-3-11(4-7-15)8-2-1-5-13-9(8)14-10(11)16/h1-2,5H,3-4,6-7,12H2,(H,13,14,16).
What are the key properties of 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 70997318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).