[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone

C17H22N2O2 — CID 71837199

IUPAC[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCCCC1(CO)CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-2-7-17(12-20)8-3-10-19(17)16(21)14-5-4-13-6-9-18-15(13)11-14/h4-6,9,11,18,20H,2-3,7-8,10,12H2,1H3
InChIKeyUNBJARAOXHQJEE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.94
Rot. Bonds4

About [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone

[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 71837199) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID71837199
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCCCC1(CO)CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-2-7-17(12-20)8-3-10-19(17)16(21)14-5-4-13-6-9-18-15(13)11-14/h4-6,9,11,18,20H,2-3,7-8,10,12H2,1H3
InChIKeyUNBJARAOXHQJEE-UHFFFAOYSA-N
XLogP2.94
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone (CID 71837199) is [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone is CCCC1(CO)CCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is UNBJARAOXHQJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-7-17(12-20)8-3-10-19(17)16(21)14-5-4-13-6-9-18-15(13)11-14/h4-6,9,11,18,20H,2-3,7-8,10,12H2,1H3.
What are the key properties of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 71837199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).