1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

C17H24N2O2 — CID 110020014

IUPAC1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(CCC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H24N2O2/c1-13(20)15-6-9-18(12-15)10-8-17(21)19-11-7-14-4-2-3-5-16(14)19/h2-5,13,15,20H,6-12H2,1H3
InChIKeyPTNYWJWVEDALRO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.67
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one

1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110020014) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110020014
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(CCC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H24N2O2/c1-13(20)15-6-9-18(12-15)10-8-17(21)19-11-7-14-4-2-3-5-16(14)19/h2-5,13,15,20H,6-12H2,1H3
InChIKeyPTNYWJWVEDALRO-UHFFFAOYSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 95610917
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
CID 36895358
3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 146299378
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495
1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 48633177
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one (CID 110020014) is 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is CC(O)C1CCN(CCC(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is PTNYWJWVEDALRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)15-6-9-18(12-15)10-8-17(21)19-11-7-14-4-2-3-5-16(14)19/h2-5,13,15,20H,6-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110020014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).