(4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C11H16O2 — CID 10607466

IUPAC(4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESC=CCC[C@H]1CC[C@@H]2COC(=O)C12
InChIInChI=1S/C11H16O2/c1-2-3-4-8-5-6-9-7-13-11(12)10(8)9/h2,8-10H,1,3-7H2/t8-,9+,10?/m0/s1
InChIKeyRFKJVHYTTMSHFM-QIIDTADFSA-N
MW180.25 g/mol
LogP2.15
Rot. Bonds3

About (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

(4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 10607466) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID10607466
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESC=CCC[C@H]1CC[C@@H]2COC(=O)C12
InChIInChI=1S/C11H16O2/c1-2-3-4-8-5-6-9-7-13-11(12)10(8)9/h2,8-10H,1,3-7H2/t8-,9+,10?/m0/s1
InChIKeyRFKJVHYTTMSHFM-QIIDTADFSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-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

Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
CID 121232748
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CID 131866362
(3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 10820951
(3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449321
3a,4,7,7a-Tetrahydro-4,7-methano-2-benzofuran-1(3H)-one
CID 262983
2-Fluoro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 101441523
(1R,2S,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11286562
(3aR,5aS,6S,8aR,8bS)-6-ethyl-3,3a,5a,6,7,8,8a,8b-octahydrocyclopenta[g][2]benzofuran-1-one
CID 23258174
7-Allylbicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic anhydride
CID 112022
5-Oxatetracyclo[8.2.1.02,9.03,7]tridec-11-en-4-one
CID 434424

Frequently Asked Questions

What is the IUPAC name of (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 10607466) is (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is C=CCC[C@H]1CC[C@@H]2COC(=O)C12.
What is the InChIKey of (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is RFKJVHYTTMSHFM-QIIDTADFSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-8-5-6-9-7-13-11(12)10(8)9/h2,8-10H,1,3-7H2/t8-,9+,10?/m0/s1.
What are the key properties of (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
(4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6aS)-4-but-3-enyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 10607466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).