1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine

C9H18N2 — CID 102567834

IUPAC1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine
SMILESCCN1CCC2CCCNC21
InChIInChI=1S/C9H18N2/c1-2-11-7-5-8-4-3-6-10-9(8)11/h8-10H,2-7H2,1H3
InChIKeyGPDBKVYPJCIPFI-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.04
Rot. Bonds1

About 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine

1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine (PubChem CID 102567834) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine
PubChem CID102567834
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine
SMILESCCN1CCC2CCCNC21
InChIInChI=1S/C9H18N2/c1-2-11-7-5-8-4-3-6-10-9(8)11/h8-10H,2-7H2,1H3
InChIKeyGPDBKVYPJCIPFI-UHFFFAOYSA-N
XLogP1.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466
1-ethyl-2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819534
1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 63609006
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
(2R)-2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 124678521
2-(2-methylbutan-2-yl)piperidine
CID 118553273
1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane
CID 115102113
2-cyclopentylpyrrolidine
CID 4031549

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine (CID 102567834) is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine is CCN1CCC2CCCNC21.
What is the InChIKey of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine?
The InChIKey is GPDBKVYPJCIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-7-5-8-4-3-6-10-9(8)11/h8-10H,2-7H2,1H3.
What are the key properties of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine?
1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine has a molecular weight of 154.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 102567834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).