4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one

C10H12O2 — CID 556386

IUPAC4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one
SMILESCC1=CCC2C1=COC(=O)C2C
InChIInChI=1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h3,5,7-8H,4H2,1-2H3
InChIKeyPTVNMTAUAGZCGN-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.03
Rot. Bonds

About 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one

4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one (PubChem CID 556386) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one
PubChem CID556386
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one
SMILESCC1=CCC2C1=COC(=O)C2C
InChIInChI=1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h3,5,7-8H,4H2,1-2H3
InChIKeyPTVNMTAUAGZCGN-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one?
The IUPAC name of 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one (CID 556386) is 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one.
What is the SMILES notation for 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one?
The canonical SMILES for 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one is CC1=CCC2C1=COC(=O)C2C.
What is the InChIKey of 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one?
The InChIKey is PTVNMTAUAGZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h3,5,7-8H,4H2,1-2H3.
What are the key properties of 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one?
4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one has a molecular weight of 164.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one is sourced from PubChem (CID 556386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).