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

C11H14O3 — CID 134851416

IUPAC(2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC/C=C/[C@@H]1C[C@@H](O)OC2=C1CCC2=O
InChIInChI=1S/C11H14O3/c1-2-3-7-6-10(13)14-11-8(7)4-5-9(11)12/h2-3,7,10,13H,4-6H2,1H3/b3-2+/t7-,10+/m1/s1
InChIKeyMLCJYKBCNRBASL-ZVAGAUQRSA-N
MW194.23 g/mol
LogP1.53
Rot. Bonds1

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

(2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 134851416) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID134851416
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC/C=C/[C@@H]1C[C@@H](O)OC2=C1CCC2=O
InChIInChI=1S/C11H14O3/c1-2-3-7-6-10(13)14-11-8(7)4-5-9(11)12/h2-3,7,10,13H,4-6H2,1H3/b3-2+/t7-,10+/m1/s1
InChIKeyMLCJYKBCNRBASL-ZVAGAUQRSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 134851416) is (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C/C=C/[C@@H]1C[C@@H](O)OC2=C1CCC2=O.
What is the InChIKey of (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is MLCJYKBCNRBASL-ZVAGAUQRSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-7-6-10(13)14-11-8(7)4-5-9(11)12/h2-3,7,10,13H,4-6H2,1H3/b3-2+/t7-,10+/m1/s1.
What are the key properties of (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 194.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-hydroxy-4-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 134851416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).