(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one

C9H12O2 — CID 93495749

IUPAC(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
SMILESC/C=C1\C(=O)C[C@@H]2OCC[C@H]12
InChIInChI=1S/C9H12O2/c1-2-6-7-3-4-11-9(7)5-8(6)10/h2,7,9H,3-5H2,1H3/b6-2-/t7-,9+/m1/s1
InChIKeyWARSQMVCHHVUDW-JQOKTNPQSA-N
MW152.19 g/mol
LogP1.31
Rot. Bonds

About (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one

(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one (PubChem CID 93495749) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one.

Molecular Properties

Compound Name(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
PubChem CID93495749
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
SMILESC/C=C1\C(=O)C[C@@H]2OCC[C@H]12
InChIInChI=1S/C9H12O2/c1-2-6-7-3-4-11-9(7)5-8(6)10/h2,7,9H,3-5H2,1H3/b6-2-/t7-,9+/m1/s1
InChIKeyWARSQMVCHHVUDW-JQOKTNPQSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one with MolForge

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Related Compounds

5-pentyl-1,3,3a,6a-tetrahydro-4H-cyclopenta[c]furan-4-one
CID 13540146
3-(2-Ethoxy-4-oxocyclopentyl)but-2-enal
CID 139608717
(3E,3aS,6aS)-3-propylidene-3a,4,6,6a-tetrahydrocyclopenta[b]furan-5-one
CID 10986620
(4Z)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 45082990
Cyclopenten-1-yl(oxolan-3-yl)methanone
CID 62078833
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154589
4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 71439427
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanone
CID 79758236
(3aS,4Z,6aR)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495746
(3aR,4Z,6aR)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495747
(3aS,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495748
(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
CID 102186051

Frequently Asked Questions

What is the IUPAC name of (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one?
The IUPAC name of (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one (CID 93495749) is (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one.
What is the SMILES notation for (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one?
The canonical SMILES for (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one is C/C=C1\C(=O)C[C@@H]2OCC[C@H]12.
What is the InChIKey of (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one?
The InChIKey is WARSQMVCHHVUDW-JQOKTNPQSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-6-7-3-4-11-9(7)5-8(6)10/h2,7,9H,3-5H2,1H3/b6-2-/t7-,9+/m1/s1.
What are the key properties of (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one?
(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one has a molecular weight of 152.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one is sourced from PubChem (CID 93495749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).