methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate

C10H12O4 — CID 10726533

IUPACmethyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\C(=O)O[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H12O4/c1-13-9(11)5-7-6-3-2-4-8(6)14-10(7)12/h5-6,8H,2-4H2,1H3/b7-5-/t6-,8-/m0/s1
InChIKeyGQRRBOAHIMPFQI-SACCCDBLSA-N
MW196.20 g/mol
LogP0.81
Rot. Bonds1

About methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate

methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate (PubChem CID 10726533) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate
PubChem CID10726533
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\C(=O)O[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H12O4/c1-13-9(11)5-7-6-3-2-4-8(6)14-10(7)12/h5-6,8H,2-4H2,1H3/b7-5-/t6-,8-/m0/s1
InChIKeyGQRRBOAHIMPFQI-SACCCDBLSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate (CID 10726533) is methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate is COC(=O)/C=C1\C(=O)O[C@H]2CCC[C@@H]12.
What is the InChIKey of methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate?
The InChIKey is GQRRBOAHIMPFQI-SACCCDBLSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-9(11)5-7-6-3-2-4-8(6)14-10(7)12/h5-6,8H,2-4H2,1H3/b7-5-/t6-,8-/m0/s1.
What are the key properties of methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate?
methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate has a molecular weight of 196.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(3aS,6aS)-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-ylidene]acetate is sourced from PubChem (CID 10726533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).