2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one

C11H14O2 — CID 130031285

IUPAC2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one
SMILESC=C1CC2=C(CCC2=O)OC1(C)C
InChIInChI=1S/C11H14O2/c1-7-6-8-9(12)4-5-10(8)13-11(7,2)3/h1,4-6H2,2-3H3
InChIKeyVWDHAJIRZVDFQQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds

About 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one

2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one (PubChem CID 130031285) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one
PubChem CID130031285
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one
SMILESC=C1CC2=C(CCC2=O)OC1(C)C
InChIInChI=1S/C11H14O2/c1-7-6-8-9(12)4-5-10(8)13-11(7,2)3/h1,4-6H2,2-3H3
InChIKeyVWDHAJIRZVDFQQ-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
The IUPAC name of 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one (CID 130031285) is 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one.
What is the SMILES notation for 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
The canonical SMILES for 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one is C=C1CC2=C(CCC2=O)OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
The InChIKey is VWDHAJIRZVDFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-6-8-9(12)4-5-10(8)13-11(7,2)3/h1,4-6H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one?
2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidene-6,7-dihydro-4H-cyclopenta[b]pyran-5-one is sourced from PubChem (CID 130031285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).