2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

C17H23NO2 — CID 115775126

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCC(CCO)C1
InChIInChI=1S/C17H23NO2/c19-9-7-13-6-8-18(12-13)17(20)11-14-4-5-15-2-1-3-16(15)10-14/h4-5,10,13,19H,1-3,6-9,11-12H2
InChIKeyDDSSPCPPSREEQG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 115775126) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID115775126
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCC(CCO)C1
InChIInChI=1S/C17H23NO2/c19-9-7-13-6-8-18(12-13)17(20)11-14-4-5-15-2-1-3-16(15)10-14/h4-5,10,13,19H,1-3,6-9,11-12H2
InChIKeyDDSSPCPPSREEQG-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 115775325
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 62372342
2-fluoro-4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 167955546
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 115775126) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccc2c(c1)CCC2)N1CCC(CCO)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DDSSPCPPSREEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-9-7-13-6-8-18(12-13)17(20)11-14-4-5-15-2-1-3-16(15)10-14/h4-5,10,13,19H,1-3,6-9,11-12H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115775126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).