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

C14H18O — CID 72607705

IUPAC1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C(C)C)CC2
InChIInChI=1S/C14H18O/c1-9(2)13-7-6-11-4-5-12(10(3)15)8-14(11)13/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyALXMFUUDEBYYRS-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.58
Rot. Bonds2

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

1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 72607705) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID72607705
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C(C)C)CC2
InChIInChI=1S/C14H18O/c1-9(2)13-7-6-11-4-5-12(10(3)15)8-14(11)13/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyALXMFUUDEBYYRS-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
CID 90845496
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 167441479
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone
CID 143343093
1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
CID 22975342
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713
methyl (2S)-2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 59590884
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone (CID 72607705) is 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone is CC(=O)c1ccc2c(c1)C(C(C)C)CC2.
What is the InChIKey of 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is ALXMFUUDEBYYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9(2)13-7-6-11-4-5-12(10(3)15)8-14(11)13/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone?
1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 202.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 72607705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).