1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one

C15H20O3 — CID 91753128

IUPAC1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)[C@H]1[C@H](C)CC[C@]1(O)c1ccoc1
InChIInChI=1S/C15H20O3/c1-10(2)8-13(16)14-11(3)4-6-15(14,17)12-5-7-18-9-12/h5,7-9,11,14,17H,4,6H2,1-3H3/t11-,14-,15+/m1/s1
InChIKeyMZISRFGDZVZINJ-DFBGVHRSSA-N
MW248.32 g/mol
LogP3.05
Rot. Bonds3

About 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one

1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one (PubChem CID 91753128) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one.

Molecular Properties

Compound Name1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one
PubChem CID91753128
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one
SMILESCC(C)=CC(=O)[C@H]1[C@H](C)CC[C@]1(O)c1ccoc1
InChIInChI=1S/C15H20O3/c1-10(2)8-13(16)14-11(3)4-6-15(14,17)12-5-7-18-9-12/h5,7-9,11,14,17H,4,6H2,1-3H3/t11-,14-,15+/m1/s1
InChIKeyMZISRFGDZVZINJ-DFBGVHRSSA-N
XLogP3.05
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-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

1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
CID 41493
1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
CID 99899
2-Pentanone, 5-hydroxy-4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-
CID 213591
4-Methyl-1-((2R,5S)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
CID 442379
5-(3-Furanyl)-5-hydroxy-2-pentanone
CID 161819
4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
CID 120744
(6E,10E,14E,17S)-17-(furan-3-yl)-17-hydroxy-2,6,10,14-tetramethylheptadeca-6,10,14-trien-4-one
CID 11349694
Bohlmann K3089
CID 327381
Deisopropylngaione
CID 162446
4-Hydroxydehydromyoporone
CID 14830724
1,4-Ipomeadiol
CID 13186539
furan-3-yl-[(1R,2S,4R)-2-hydroxy-4-methyl-2-(2-methylpropyl)cyclopentyl]methanone
CID 13969253

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one?
The IUPAC name of 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one (CID 91753128) is 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one.
What is the SMILES notation for 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one?
The canonical SMILES for 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one is CC(C)=CC(=O)[C@H]1[C@H](C)CC[C@]1(O)c1ccoc1.
What is the InChIKey of 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one?
The InChIKey is MZISRFGDZVZINJ-DFBGVHRSSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)8-13(16)14-11(3)4-6-15(14,17)12-5-7-18-9-12/h5,7-9,11,14,17H,4,6H2,1-3H3/t11-,14-,15+/m1/s1.
What are the key properties of 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one?
1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one has a molecular weight of 248.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,5R)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one is sourced from PubChem (CID 91753128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).