1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol

C15H20N2O — CID 2966712

IUPAC1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)Cn1ccc2ccccc21
InChIInChI=1S/C15H20N2O/c18-14(11-16-8-3-4-9-16)12-17-10-7-13-5-1-2-6-15(13)17/h1-2,5-7,10,14,18H,3-4,8-9,11-12H2
InChIKeyMUVDZMYVPIBHEI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds4

About 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol

1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 2966712) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID2966712
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)Cn1ccc2ccccc21
InChIInChI=1S/C15H20N2O/c18-14(11-16-8-3-4-9-16)12-17-10-7-13-5-1-2-6-15(13)17/h1-2,5-7,10,14,18H,3-4,8-9,11-12H2
InChIKeyMUVDZMYVPIBHEI-UHFFFAOYSA-N
XLogP2.10
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol (CID 2966712) is 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol is OC(CN1CCCC1)Cn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is MUVDZMYVPIBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(11-16-8-3-4-9-16)12-17-10-7-13-5-1-2-6-15(13)17/h1-2,5-7,10,14,18H,3-4,8-9,11-12H2.
What are the key properties of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol?
1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 2966712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).