1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]

C13H21N3 — CID 91070647

IUPAC1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]
SMILESCN1CCC2(CC1)CNC1C2=CC=CN1C
InChIInChI=1S/C13H21N3/c1-15-8-5-13(6-9-15)10-14-12-11(13)4-3-7-16(12)2/h3-4,7,12,14H,5-6,8-10H2,1-2H3
InChIKeyXZGLLWRWUXXTHV-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.01
Rot. Bonds

About 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]

1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine] (PubChem CID 91070647) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine].

Molecular Properties

Compound Name1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]
PubChem CID91070647
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]
SMILESCN1CCC2(CC1)CNC1C2=CC=CN1C
InChIInChI=1S/C13H21N3/c1-15-8-5-13(6-9-15)10-14-12-11(13)4-3-7-16(12)2/h3-4,7,12,14H,5-6,8-10H2,1-2H3
InChIKeyXZGLLWRWUXXTHV-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]?
The IUPAC name of 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine] (CID 91070647) is 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine].
What is the SMILES notation for 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]?
The canonical SMILES for 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine] is CN1CCC2(CC1)CNC1C2=CC=CN1C.
What is the InChIKey of 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]?
The InChIKey is XZGLLWRWUXXTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-15-8-5-13(6-9-15)10-14-12-11(13)4-3-7-16(12)2/h3-4,7,12,14H,5-6,8-10H2,1-2H3.
What are the key properties of 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]?
1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine] has a molecular weight of 219.33 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',7-dimethylspiro[2,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine] is sourced from PubChem (CID 91070647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).