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

C11H20N2 — CID 82750917

IUPAC1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESC1CCC2C(C1)CCN2C1CNC1
InChIInChI=1S/C11H20N2/c1-2-4-11-9(3-1)5-6-13(11)10-7-12-8-10/h9-12H,1-8H2
InChIKeyFNNSKUHOFNZUQX-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.22
Rot. Bonds1

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

1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 82750917) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID82750917
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESC1CCC2C(C1)CCN2C1CNC1
InChIInChI=1S/C11H20N2/c1-2-4-11-9(3-1)5-6-13(11)10-7-12-8-10/h9-12H,1-8H2
InChIKeyFNNSKUHOFNZUQX-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750918
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
CID 130992359
1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751701
1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine
CID 130679544
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
2-cyclohexyl-1-cyclopentylpiperazine
CID 82936755
5-(2-cyclopentylpyrrolidin-1-yl)-2-methylpiperidine
CID 63155886
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 82750917) is 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is C1CCC2C(C1)CCN2C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is FNNSKUHOFNZUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-4-11-9(3-1)5-6-13(11)10-7-12-8-10/h9-12H,1-8H2.
What are the key properties of 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 180.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 82750917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).