1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one

C14H18O — CID 59505393

IUPAC1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one
SMILES[2H]C1CCc2cc(C(=O)C(C)(C)C)ccc21
InChIInChI=1S/C14H18O/c1-14(2,3)13(15)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3/i5D
InChIKeyMUYOJOIWSYEDFJ-UICOGKGYSA-N
MW203.30 g/mol
LogP3.40
Rot. Bonds1

About 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one

1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 59505393) has the molecular formula C14H18O and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one
PubChem CID59505393
Molecular FormulaC14H18O
Molecular Weight203.30 g/mol
Exact Mass203.14
IUPAC Name1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one
SMILES[2H]C1CCc2cc(C(=O)C(C)(C)C)ccc21
InChIInChI=1S/C14H18O/c1-14(2,3)13(15)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3/i5D
InChIKeyMUYOJOIWSYEDFJ-UICOGKGYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399

Frequently Asked Questions

What is the IUPAC name of 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one (CID 59505393) is 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one is [2H]C1CCc2cc(C(=O)C(C)(C)C)ccc21.
What is the InChIKey of 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is MUYOJOIWSYEDFJ-UICOGKGYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(2,3)13(15)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3/i5D.
What are the key properties of 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one?
1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 203.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59505393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).