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

C14H18O — CID 43161092

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O/c1-10(2)8-14(15)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyIXKXVKLDRQMEMR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.40
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one (PubChem CID 43161092) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
PubChem CID43161092
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O/c1-10(2)8-14(15)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyIXKXVKLDRQMEMR-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752852
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
CID 43800532
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one (CID 43161092) is 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one is CC(C)CC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one?
The InChIKey is IXKXVKLDRQMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)8-14(15)13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one is sourced from PubChem (CID 43161092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).