1-(5-methylcyclopenta[b]pyran-2-yl)ethanone

C11H10O2 — CID 151002996

IUPAC1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
SMILESCC(=O)c1ccc2c(C)ccc-2o1
InChIInChI=1S/C11H10O2/c1-7-3-5-11-9(7)4-6-10(13-11)8(2)12/h3-6H,1-2H3
InChIKeyLUMWUJJFSFTQBY-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.90
Rot. Bonds1

About 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone

1-(5-methylcyclopenta[b]pyran-2-yl)ethanone (PubChem CID 151002996) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
PubChem CID151002996
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
SMILESCC(=O)c1ccc2c(C)ccc-2o1
InChIInChI=1S/C11H10O2/c1-7-3-5-11-9(7)4-6-10(13-11)8(2)12/h3-6H,1-2H3
InChIKeyLUMWUJJFSFTQBY-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(3-fluoro-2-methylphenyl)furan-2-yl]ethanone
CID 62498241
1-[5-(2-propan-2-ylphenyl)furan-2-yl]ethanone
CID 62500184
methyl 2-(5-acetylfuran-2-yl)benzoate
CID 16649203
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanone
CID 55084047
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
CID 103434041
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
CID 107530720
1-[5-(2-propylphenyl)furan-2-yl]ethanone
CID 62498239
methyl 5-(5-fluoro-2-methylphenyl)furan-2-carboxylate
CID 11310857
methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
CID 2739697

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone?
The IUPAC name of 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone (CID 151002996) is 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone?
The canonical SMILES for 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone is CC(=O)c1ccc2c(C)ccc-2o1.
What is the InChIKey of 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone?
The InChIKey is LUMWUJJFSFTQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-3-5-11-9(7)4-6-10(13-11)8(2)12/h3-6H,1-2H3.
What are the key properties of 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone?
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclopenta[b]pyran-2-yl)ethanone is sourced from PubChem (CID 151002996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).