3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one

C19H27N3O3 — CID 110108280

IUPAC3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c23-18-14-22(13-17(18)21-9-11-25-12-10-21)19(24)6-8-20-7-5-15-3-1-2-4-16(15)20/h1-4,17-18,23H,5-14H2/t17-,18-/m1/s1
InChIKeyXFTCUYWQBOEWNX-QZTJIDSGSA-N
MW345.44 g/mol
LogP0.34
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one

3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 110108280) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
PubChem CID110108280
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c23-18-14-22(13-17(18)21-9-11-25-12-10-21)19(24)6-8-20-7-5-15-3-1-2-4-16(15)20/h1-4,17-18,23H,5-14H2/t17-,18-/m1/s1
InChIKeyXFTCUYWQBOEWNX-QZTJIDSGSA-N
XLogP0.34
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one (CID 110108280) is 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one is O=C(CCN1CCc2ccccc21)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is XFTCUYWQBOEWNX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18-14-22(13-17(18)21-9-11-25-12-10-21)19(24)6-8-20-7-5-15-3-1-2-4-16(15)20/h1-4,17-18,23H,5-14H2/t17-,18-/m1/s1.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one?
3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 345.44 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).