2,3,3-trimethyl-2H-inden-1-one

C12H14O — CID 10149036

IUPAC2,3,3-trimethyl-2H-inden-1-one
SMILESCC1C(=O)c2ccccc2C1(C)C
InChIInChI=1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3
InChIKeyKZSUMHASCAWKLE-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.80
Rot. Bonds

About 2,3,3-trimethyl-2H-inden-1-one

2,3,3-trimethyl-2H-inden-1-one (PubChem CID 10149036) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,3,3-trimethyl-2H-inden-1-one.

Molecular Properties

Compound Name2,3,3-trimethyl-2H-inden-1-one
PubChem CID10149036
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2,3,3-trimethyl-2H-inden-1-one
SMILESCC1C(=O)c2ccccc2C1(C)C
InChIInChI=1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3
InChIKeyKZSUMHASCAWKLE-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10241
Valone
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2,4-Dimethylacetophenone
CID 6985
2-Methylacetophenone
CID 11340
Valerophenone
CID 66093
4-Isopropylacetophenone
CID 12578
1-Acenaphthenone
CID 75229

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-2H-inden-1-one?
The IUPAC name of 2,3,3-trimethyl-2H-inden-1-one (CID 10149036) is 2,3,3-trimethyl-2H-inden-1-one.
What is the SMILES notation for 2,3,3-trimethyl-2H-inden-1-one?
The canonical SMILES for 2,3,3-trimethyl-2H-inden-1-one is CC1C(=O)c2ccccc2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-2H-inden-1-one?
The InChIKey is KZSUMHASCAWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3.
What are the key properties of 2,3,3-trimethyl-2H-inden-1-one?
2,3,3-trimethyl-2H-inden-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-2H-inden-1-one is sourced from PubChem (CID 10149036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).