1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C15H20N2O — CID 82855393

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(C2Cc3ccccc3N2)CCN2CCCC21
InChIInChI=1S/C15H20N2O/c18-15(7-9-17-8-3-6-14(15)17)13-10-11-4-1-2-5-12(11)16-13/h1-2,4-5,13-14,16,18H,3,6-10H2
InChIKeyGUCRLEOTTKMGRM-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.62
Rot. Bonds1

About 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82855393) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82855393
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(C2Cc3ccccc3N2)CCN2CCCC21
InChIInChI=1S/C15H20N2O/c18-15(7-9-17-8-3-6-14(15)17)13-10-11-4-1-2-5-12(11)16-13/h1-2,4-5,13-14,16,18H,3,6-10H2
InChIKeyGUCRLEOTTKMGRM-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82855393) is 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(C2Cc3ccccc3N2)CCN2CCCC21.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is GUCRLEOTTKMGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(7-9-17-8-3-6-14(15)17)13-10-11-4-1-2-5-12(11)16-13/h1-2,4-5,13-14,16,18H,3,6-10H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 244.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82855393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).