2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine

C14H28N4 — CID 154791283

IUPAC2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
SMILESC1CNC2CNCC2C1.C1CNC2CNCC2C1
InChIInChI=1S/2C7H14N2/c2*1-2-6-4-8-5-7(6)9-3-1/h2*6-9H,1-5H2
InChIKeyGXXSCOWIRRPGJD-UHFFFAOYSA-N
MW252.41 g/mol
LogP-0.08
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine

2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 154791283) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
PubChem CID154791283
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
SMILESC1CNC2CNCC2C1.C1CNC2CNCC2C1
InChIInChI=1S/2C7H14N2/c2*1-2-6-4-8-5-7(6)9-3-1/h2*6-9H,1-5H2
InChIKeyGXXSCOWIRRPGJD-UHFFFAOYSA-N
XLogP-0.08
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;oxalic acid
CID 175775503
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[3,2-c]azepine
CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;4,4-dimethylpent-1-ene
CID 156708878
2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-pyrido[3,4-b]azepine
CID 23282830
2-cyclohexylpiperazine
CID 13489550
2-pyrrolidin-3-ylpiperidine
CID 54510813
2-cyclohexylpiperazine;piperazine
CID 22400875
2-cyclohexylpiperazine;hydrochloride
CID 156699610
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
2-cyclopentylpyrrolidine
CID 4031549
2-pyrrolidin-2-ylpiperazine
CID 163488411

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine (CID 154791283) is 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine is C1CNC2CNCC2C1.C1CNC2CNCC2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine?
The InChIKey is GXXSCOWIRRPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2/c2*1-2-6-4-8-5-7(6)9-3-1/h2*6-9H,1-5H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine?
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 252.41 g/mol, XLogP of -0.08, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 154791283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).