(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C12H12O4 — CID 134862482

IUPAC(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CCC2=C1O[C@H](O)C[C@H]2c1ccco1
InChIInChI=1S/C12H12O4/c13-9-4-3-7-8(10-2-1-5-15-10)6-11(14)16-12(7)9/h1-2,5,8,11,14H,3-4,6H2/t8-,11+/m1/s1
InChIKeyQRRGGSDLORPURP-KCJUWKMLSA-N
MW220.22 g/mol
LogP1.72
Rot. Bonds1

About (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 134862482) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID134862482
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CCC2=C1O[C@H](O)C[C@H]2c1ccco1
InChIInChI=1S/C12H12O4/c13-9-4-3-7-8(10-2-1-5-15-10)6-11(14)16-12(7)9/h1-2,5,8,11,14H,3-4,6H2/t8-,11+/m1/s1
InChIKeyQRRGGSDLORPURP-KCJUWKMLSA-N
XLogP1.72
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one with MolForge

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Related Compounds

5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
CID 23250320
2-(furan-2-yl)-1,3-oxathiolan-5-one
CID 139228180
(4S)-5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyran-2-one
CID 132597033
2-(furan-2-yl)-1-methylpyrrolidin-3-one
CID 83826796
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol
CID 124565841
(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
CID 15981595
2-(furan-2-yl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14084383
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 54772496

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 134862482) is (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1CCC2=C1O[C@H](O)C[C@H]2c1ccco1.
What is the InChIKey of (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is QRRGGSDLORPURP-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H12O4/c13-9-4-3-7-8(10-2-1-5-15-10)6-11(14)16-12(7)9/h1-2,5,8,11,14H,3-4,6H2/t8-,11+/m1/s1.
What are the key properties of (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 220.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 134862482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).