1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

C14H26N2 — CID 82751701

IUPAC1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCC1CNCC1N1CCC2CCCCC21
InChIInChI=1S/C14H26N2/c1-2-11-9-15-10-14(11)16-8-7-12-5-3-4-6-13(12)16/h11-15H,2-10H2,1H3
InChIKeyHDQWIMXBJUPONP-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds2

About 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 82751701) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID82751701
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCC1CNCC1N1CCC2CCCCC21
InChIInChI=1S/C14H26N2/c1-2-11-9-15-10-14(11)16-8-7-12-5-3-4-6-13(12)16/h11-15H,2-10H2,1H3
InChIKeyHDQWIMXBJUPONP-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 82751701) is 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is CCC1CNCC1N1CCC2CCCCC21.
What is the InChIKey of 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is HDQWIMXBJUPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-11-9-15-10-14(11)16-8-7-12-5-3-4-6-13(12)16/h11-15H,2-10H2,1H3.
What are the key properties of 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 222.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 82751701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).