(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one

C9H10O2 — CID 11389481

IUPAC(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one
SMILESC=C[C@H]1C[C@H]2C(=O)C=C[C@H]2O1
InChIInChI=1S/C9H10O2/c1-2-6-5-7-8(10)3-4-9(7)11-6/h2-4,6-7,9H,1,5H2/t6-,7-,9+/m0/s1
InChIKeyJCKUDRNEYGOUHA-ACLDMZEESA-N
MW150.18 g/mol
LogP1.09
Rot. Bonds1

About (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one

(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one (PubChem CID 11389481) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one.

Molecular Properties

Compound Name(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one
PubChem CID11389481
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one
SMILESC=C[C@H]1C[C@H]2C(=O)C=C[C@H]2O1
InChIInChI=1S/C9H10O2/c1-2-6-5-7-8(10)3-4-9(7)11-6/h2-4,6-7,9H,1,5H2/t6-,7-,9+/m0/s1
InChIKeyJCKUDRNEYGOUHA-ACLDMZEESA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

preclavulone lactone I
CID 5283237
Preclavulone lactone II
CID 5283238
5-Acetyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 12271757
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-yl)propan-1-one
CID 14091335
1-(3-Acetyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethanone
CID 21344831
4-(Prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11019727
1-[(1R,2R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]prop-2-en-1-one
CID 11469159
1-[(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethanone
CID 12271760
1-[(1S,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethanone
CID 12271761
Ethanone, 1-[(3aS,6aS)-3a,6a-dihydro-2-methyl-4H-cyclopenta[b]furan-3-yl]-
CID 45086292
1-[(1S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethanone
CID 101702134
(1S,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 131046087

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one?
The IUPAC name of (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one (CID 11389481) is (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one.
What is the SMILES notation for (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one?
The canonical SMILES for (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one is C=C[C@H]1C[C@H]2C(=O)C=C[C@H]2O1.
What is the InChIKey of (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one?
The InChIKey is JCKUDRNEYGOUHA-ACLDMZEESA-N. The full InChI is InChI=1S/C9H10O2/c1-2-6-5-7-8(10)3-4-9(7)11-6/h2-4,6-7,9H,1,5H2/t6-,7-,9+/m0/s1.
What are the key properties of (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one?
(2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-2-ethenyl-2,3,3a,6a-tetrahydrocyclopenta[b]furan-4-one is sourced from PubChem (CID 11389481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).