2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

C10H12O2 — CID 141043289

IUPAC2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESCc1cc(=O)c2c(o1)C(C)CC2
InChIInChI=1S/C10H12O2/c1-6-3-4-8-9(11)5-7(2)12-10(6)8/h5-6H,3-4H2,1-2H3
InChIKeyLHNUJIOWUUCOCD-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.00
Rot. Bonds

About 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (PubChem CID 141043289) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
PubChem CID141043289
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESCc1cc(=O)c2c(o1)C(C)CC2
InChIInChI=1S/C10H12O2/c1-6-3-4-8-9(11)5-7(2)12-10(6)8/h5-6H,3-4H2,1-2H3
InChIKeyLHNUJIOWUUCOCD-UHFFFAOYSA-N
XLogP2.00
TPSA30.21 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The IUPAC name of 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (CID 141043289) is 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The canonical SMILES for 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is Cc1cc(=O)c2c(o1)C(C)CC2.
What is the InChIKey of 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The InChIKey is LHNUJIOWUUCOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-3-4-8-9(11)5-7(2)12-10(6)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one has a molecular weight of 164.20 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 141043289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).