1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone

C18H18O2 — CID 101337608

IUPAC1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone
SMILESCC(=O)C1(C(C)=O)Cc2ccc(C3C=CC=C3)cc2C1
InChIInChI=1S/C18H18O2/c1-12(19)18(13(2)20)10-16-8-7-15(9-17(16)11-18)14-5-3-4-6-14/h3-9,14H,10-11H2,1-2H3
InChIKeyNYVFUCWVDKAYOY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.16
Rot. Bonds3

About 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone

1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone (PubChem CID 101337608) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone
PubChem CID101337608
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone
SMILESCC(=O)C1(C(C)=O)Cc2ccc(C3C=CC=C3)cc2C1
InChIInChI=1S/C18H18O2/c1-12(19)18(13(2)20)10-16-8-7-15(9-17(16)11-18)14-5-3-4-6-14/h3-9,14H,10-11H2,1-2H3
InChIKeyNYVFUCWVDKAYOY-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.16
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

ethyl 2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroindene-2-carboxylate
CID 12060096
1-[2-acetyl-5-[(4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-1,3-dihydroinden-2-yl]ethanone
CID 102187369
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
ethyl 2-acetyl-5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-1,3-dihydroindene-2-carboxylate
CID 102187373
4-cyclopenta-2,4-dien-1-ylbenzoic acid
CID 11985711
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
CID 157223751
2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
CID 84719506
1-(2-acetyl-5-hydroxy-4,7-dimethyl-1,3-dihydroinden-2-yl)ethanone
CID 101462370
bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-(4-cyclohepta-2,4,6-trien-1-ylphenyl)benzene-1,2-dicarboxylate
CID 129197853
1-[2-acetyl-5-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1,3-dihydroinden-2-yl]ethanone
CID 67159250
6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 154129475
methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
CID 125481919

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone?
The IUPAC name of 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone (CID 101337608) is 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone is CC(=O)C1(C(C)=O)Cc2ccc(C3C=CC=C3)cc2C1.
What is the InChIKey of 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone?
The InChIKey is NYVFUCWVDKAYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12(19)18(13(2)20)10-16-8-7-15(9-17(16)11-18)14-5-3-4-6-14/h3-9,14H,10-11H2,1-2H3.
What are the key properties of 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone?
1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-5-cyclopenta-2,4-dien-1-yl-1,3-dihydroinden-2-yl)ethanone is sourced from PubChem (CID 101337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).