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

C15H20O — CID 114873977

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O/c1-3-11(2)9-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyDUZGMIFCZHHGNH-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.79
Rot. Bonds4

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

1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one (PubChem CID 114873977) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
PubChem CID114873977
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O/c1-3-11(2)9-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyDUZGMIFCZHHGNH-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
2-(2,3-dihydro-1H-indene-5-carbonyl)butanenitrile
CID 43670549
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one (CID 114873977) is 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one is CCC(C)CC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one?
The InChIKey is DUZGMIFCZHHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-11(2)9-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.79, 4 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-methylpentan-1-one is sourced from PubChem (CID 114873977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).