2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone

C20H20O — CID 114974399

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)C1CC1c1ccccc1
InChIInChI=1S/C20H20O/c21-20(19-13-18(19)16-5-2-1-3-6-16)12-14-9-10-15-7-4-8-17(15)11-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2
InChIKeyMAJKUZZIVRAWQK-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.09
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone (PubChem CID 114974399) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
PubChem CID114974399
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)C1CC1c1ccccc1
InChIInChI=1S/C20H20O/c21-20(19-13-18(19)16-5-2-1-3-6-16)12-14-9-10-15-7-4-8-17(15)11-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2
InChIKeyMAJKUZZIVRAWQK-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116576079
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 120748674
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone (CID 114974399) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone is O=C(Cc1ccc2c(c1)CCC2)C1CC1c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone?
The InChIKey is MAJKUZZIVRAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c21-20(19-13-18(19)16-5-2-1-3-6-16)12-14-9-10-15-7-4-8-17(15)11-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone is sourced from PubChem (CID 114974399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).