(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one

C8H8O2 — CID 131859522

IUPAC(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
SMILESC=C1C(=O)O[C@@H]2C=CC[C@H]12
InChIInChI=1S/C8H8O2/c1-5-6-3-2-4-7(6)10-8(5)9/h2,4,6-7H,1,3H2/t6-,7-/m1/s1
InChIKeyYJZSCBNXFHQEHK-RNFRBKRXSA-N
MW136.15 g/mol
LogP1.04
Rot. Bonds

About (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one

(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one (PubChem CID 131859522) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
PubChem CID131859522
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
SMILESC=C1C(=O)O[C@@H]2C=CC[C@H]12
InChIInChI=1S/C8H8O2/c1-5-6-3-2-4-7(6)10-8(5)9/h2,4,6-7H,1,3H2/t6-,7-/m1/s1
InChIKeyYJZSCBNXFHQEHK-RNFRBKRXSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3E,3aS,6aS)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 10900976
4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione
CID 11550599
(3aS,6Z,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 124546651
(3aS,7aS)-3-propan-2-ylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
CID 101022900
(1S,9E,15R)-18-methylidene-16-oxabicyclo[13.3.0]octadec-9-en-17-one
CID 177410981
(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11400761
(3aS,7Z,15aS)-3-methylidene-3a,4,5,6,9,10,11,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-2-one
CID 15866740
(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 6436243
(3aS,6aS)-3,3a,4,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-one
CID 102147997
3-methylidene-3a,4,5,6,7,8,9,10,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one
CID 14543194
(3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
CID 6441492
5,8-dimethyl-1-methylidene-3a,4,5,5a,6,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
CID 162882051

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one (CID 131859522) is (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one is C=C1C(=O)O[C@@H]2C=CC[C@H]12.
What is the InChIKey of (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one?
The InChIKey is YJZSCBNXFHQEHK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H8O2/c1-5-6-3-2-4-7(6)10-8(5)9/h2,4,6-7H,1,3H2/t6-,7-/m1/s1.
What are the key properties of (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one?
(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one has a molecular weight of 136.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one is sourced from PubChem (CID 131859522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).