2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone

C18H25NO2 — CID 124758014

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCOC[C@H]1CCCN1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C18H25NO2/c1-2-21-13-17-8-5-9-19(17)18(20)12-14-10-15-6-3-4-7-16(15)11-14/h3-4,6-7,14,17H,2,5,8-13H2,1H3/t17-/m1/s1
InChIKeyXLKHLGBSWKLTKE-QGZVFWFLSA-N
MW287.40 g/mol
LogP2.82
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 124758014) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID124758014
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCOC[C@H]1CCCN1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C18H25NO2/c1-2-21-13-17-8-5-9-19(17)18(20)12-14-10-15-6-3-4-7-16(15)11-14/h3-4,6-7,14,17H,2,5,8-13H2,1H3/t17-/m1/s1
InChIKeyXLKHLGBSWKLTKE-QGZVFWFLSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

ethyl (2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 57027545
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138
(2R,3R)-2-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperidine-3-carboxylic acid
CID 122115861
1-[2-[(2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124842042
(2R)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 54196372
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264
ethane;1-[2-(ethoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 156738237
4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethane;16-[2-(ethoxymethyl)pyrrolidin-1-yl]-16-oxohexadecanoic acid
CID 156738231
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone (CID 124758014) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone is CCOC[C@H]1CCCN1C(=O)CC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is XLKHLGBSWKLTKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-21-13-17-8-5-9-19(17)18(20)12-14-10-15-6-3-4-7-16(15)11-14/h3-4,6-7,14,17H,2,5,8-13H2,1H3/t17-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 287.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124758014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).