7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one

C9H10O2 — CID 101096711

IUPAC7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
SMILESC=C1C(=O)C=C2CCCOC12
InChIInChI=1S/C9H10O2/c1-6-8(10)5-7-3-2-4-11-9(6)7/h5,9H,1-4H2
InChIKeyIOXJQCFKIUDZBK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.23
Rot. Bonds

About 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one

7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one (PubChem CID 101096711) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one.

Molecular Properties

Compound Name7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
PubChem CID101096711
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
SMILESC=C1C(=O)C=C2CCCOC12
InChIInChI=1S/C9H10O2/c1-6-8(10)5-7-3-2-4-11-9(6)7/h5,9H,1-4H2
InChIKeyIOXJQCFKIUDZBK-UHFFFAOYSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The IUPAC name of 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one (CID 101096711) is 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one.
What is the SMILES notation for 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The canonical SMILES for 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one is C=C1C(=O)C=C2CCCOC12.
What is the InChIKey of 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The InChIKey is IOXJQCFKIUDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-8(10)5-7-3-2-4-11-9(6)7/h5,9H,1-4H2.
What are the key properties of 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one has a molecular weight of 150.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one is sourced from PubChem (CID 101096711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).