(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one

C12H12O3 — CID 15981595

IUPAC(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
SMILESO=C1C=C2CO[C@H](c3ccco3)C[C@@H]2C1
InChIInChI=1S/C12H12O3/c13-10-4-8-6-12(11-2-1-3-14-11)15-7-9(8)5-10/h1-3,5,8,12H,4,6-7H2/t8-,12-/m0/s1
InChIKeyFWDWDIDBUMKZQK-UFBFGSQYSA-N
MW204.22 g/mol
LogP2.26
Rot. Bonds1

About (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one

(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one (PubChem CID 15981595) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one.

Molecular Properties

Compound Name(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
PubChem CID15981595
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
SMILESO=C1C=C2CO[C@H](c3ccco3)C[C@@H]2C1
InChIInChI=1S/C12H12O3/c13-10-4-8-6-12(11-2-1-3-14-11)15-7-9(8)5-10/h1-3,5,8,12H,4,6-7H2/t8-,12-/m0/s1
InChIKeyFWDWDIDBUMKZQK-UFBFGSQYSA-N
XLogP2.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-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

Related Compounds

(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
CID 30033441
5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
CID 23250320
(5S)-3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 951276
3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 3708096
2-(cyclopropanecarbonyl)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 52950845
5-(furan-2-yl)-3-(oxomethylidene)oxolan-2-one
CID 86741509
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
CID 797847
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
(2S)-2-(furan-2-yl)morpholine
CID 42182763
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide
CID 797840
3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 13032245

Frequently Asked Questions

What is the IUPAC name of (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one?
The IUPAC name of (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one (CID 15981595) is (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one.
What is the SMILES notation for (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one?
The canonical SMILES for (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one is O=C1C=C2CO[C@H](c3ccco3)C[C@@H]2C1.
What is the InChIKey of (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one?
The InChIKey is FWDWDIDBUMKZQK-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H12O3/c13-10-4-8-6-12(11-2-1-3-14-11)15-7-9(8)5-10/h1-3,5,8,12H,4,6-7H2/t8-,12-/m0/s1.
What are the key properties of (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one?
(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one has a molecular weight of 204.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one is sourced from PubChem (CID 15981595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).