3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one

C18H26N2O2 — CID 146299378

IUPAC3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C)c1cccc2c1CCN2C(=O)CCN1CCC(O)C1
InChIInChI=1S/C18H26N2O2/c1-13(2)15-4-3-5-17-16(15)7-11-20(17)18(22)8-10-19-9-6-14(21)12-19/h3-5,13-14,21H,6-12H2,1-2H3
InChIKeyJEWVRQHARRGADV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.16
Rot. Bonds4

About 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one

3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 146299378) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID146299378
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C)c1cccc2c1CCN2C(=O)CCN1CCC(O)C1
InChIInChI=1S/C18H26N2O2/c1-13(2)15-4-3-5-17-16(15)7-11-20(17)18(22)8-10-19-9-6-14(21)12-19/h3-5,13-14,21H,6-12H2,1-2H3
InChIKeyJEWVRQHARRGADV-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one (CID 146299378) is 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one is CC(C)c1cccc2c1CCN2C(=O)CCN1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is JEWVRQHARRGADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)15-4-3-5-17-16(15)7-11-20(17)18(22)8-10-19-9-6-14(21)12-19/h3-5,13-14,21H,6-12H2,1-2H3.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one?
3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 146299378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).