1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione

C15H18O2 — CID 82115674

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
SMILESCC(C)C(=O)CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18O2/c1-10(2)14(16)9-15(17)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3
InChIKeyVGQQWLOZVSVFBQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.97
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione

1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione (PubChem CID 82115674) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
PubChem CID82115674
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
SMILESCC(C)C(=O)CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18O2/c1-10(2)14(16)9-15(17)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3
InChIKeyVGQQWLOZVSVFBQ-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
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
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
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
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752852

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione (CID 82115674) is 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione is CC(C)C(=O)CC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione?
The InChIKey is VGQQWLOZVSVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(2)14(16)9-15(17)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione?
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione has a molecular weight of 230.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione is sourced from PubChem (CID 82115674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).