1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one

C11H12O2 — CID 70452226

IUPAC1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one
SMILESCCC(=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C11H12O2/c1-2-11(12)10-4-3-8-7-13-6-5-9(8)10/h5-7H,2-4H2,1H3
InChIKeyONHYHMCTUROFEH-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.48
Rot. Bonds2

About 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one

1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one (PubChem CID 70452226) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one
PubChem CID70452226
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one
SMILESCCC(=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C11H12O2/c1-2-11(12)10-4-3-8-7-13-6-5-9(8)10/h5-7H,2-4H2,1H3
InChIKeyONHYHMCTUROFEH-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one?
The IUPAC name of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one (CID 70452226) is 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one?
The canonical SMILES for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one is CCC(=O)C1=C2C=COC=C2CC1.
What is the InChIKey of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one?
The InChIKey is ONHYHMCTUROFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-11(12)10-4-3-8-7-13-6-5-9(8)10/h5-7H,2-4H2,1H3.
What are the key properties of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one?
1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one has a molecular weight of 176.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)propan-1-one is sourced from PubChem (CID 70452226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).