5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C11H14O2 — CID 11240800

IUPAC5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC/C=C/C1CC(=O)C2=C1CCCO2
InChIInChI=1S/C11H14O2/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeySEEKJHDGWQCHHH-DUXPYHPUSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 11240800) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID11240800
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC/C=C/C1CC(=O)C2=C1CCCO2
InChIInChI=1S/C11H14O2/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeySEEKJHDGWQCHHH-DUXPYHPUSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
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 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 11240800) is 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C/C=C/C1CC(=O)C2=C1CCCO2.
What is the InChIKey of 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is SEEKJHDGWQCHHH-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 11240800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).