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

C7H12N2 — CID 15010080

IUPAC3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine
SMILESC1=NC2CCCNC2C1
InChIInChI=1S/C7H12N2/c1-2-6-7(8-4-1)3-5-9-6/h5-8H,1-4H2
InChIKeyZIFOWVNHWMJLBG-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.58
Rot. Bonds

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

3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine (PubChem CID 15010080) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine
PubChem CID15010080
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine
SMILESC1=NC2CCCNC2C1
InChIInChI=1S/C7H12N2/c1-2-6-7(8-4-1)3-5-9-6/h5-8H,1-4H2
InChIKeyZIFOWVNHWMJLBG-UHFFFAOYSA-N
XLogP0.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aS,8aS)-4,4a,5,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinoline
CID 67915844
3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene
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1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
CID 66851093
2-cyclopentylpyrrolidine
CID 4031549
5-cycloheptyl-4,5-dihydro-1H-pyrazole
CID 19067961
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
5-cyclopropyl-4,5-dihydro-1H-pyrazole
CID 19068006
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
CID 92794225

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine (CID 15010080) is 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine is C1=NC2CCCNC2C1.
What is the InChIKey of 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZIFOWVNHWMJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-6-7(8-4-1)3-5-9-6/h5-8H,1-4H2.
What are the key properties of 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine?
3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine has a molecular weight of 124.19 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 15010080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).