(2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one

C9H8O3 — CID 70690959

IUPAC(2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H](c2ccco2)O1
InChIInChI=1S/C9H8O3/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1-2,4-6,8H,3H2/t8-/m0/s1
InChIKeyYPYRZNTXRLBRIR-QMMMGPOBSA-N
MW164.16 g/mol
LogP1.82
Rot. Bonds1

About (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one

(2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one (PubChem CID 70690959) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one
PubChem CID70690959
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H](c2ccco2)O1
InChIInChI=1S/C9H8O3/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1-2,4-6,8H,3H2/t8-/m0/s1
InChIKeyYPYRZNTXRLBRIR-QMMMGPOBSA-N
XLogP1.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-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)-2-(furan-2-yl)-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one (CID 70690959) is (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one is O=C1C=CC[C@@H](c2ccco2)O1.
What is the InChIKey of (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one?
The InChIKey is YPYRZNTXRLBRIR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8O3/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1-2,4-6,8H,3H2/t8-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one?
(2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one has a molecular weight of 164.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 70690959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).