6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C14H11NO4S — CID 69135825

IUPAC6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CSC2C(=Cc3cc4c(o3)CCC4)C(=O)N12
InChIInChI=1S/C14H11NO4S/c16-12-9(13-15(12)10(6-20-13)14(17)18)5-8-4-7-2-1-3-11(7)19-8/h4-6,13H,1-3H2,(H,17,18)
InChIKeyACMPAEDLERRGLP-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.99
Rot. Bonds2

About 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 69135825) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID69135825
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CSC2C(=Cc3cc4c(o3)CCC4)C(=O)N12
InChIInChI=1S/C14H11NO4S/c16-12-9(13-15(12)10(6-20-13)14(17)18)5-8-4-7-2-1-3-11(7)19-8/h4-6,13H,1-3H2,(H,17,18)
InChIKeyACMPAEDLERRGLP-UHFFFAOYSA-N
XLogP1.99
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 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

(5R,6Z)-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 11186006
2-[(2-carboxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-6-ylidene)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 142827200
(5R)-7-oxo-6-(3-thia-6,7-diazatricyclo[6.3.0.02,6]undeca-1,4,7-trien-4-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 91526047
(5R)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 68684764
(5R,6Z)-6-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]thiazin-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 53317769
(5R)-6-(2,3-dihydropyrazolo[5,1-b][1,3]thiazol-6-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 68688223
sodium (5R,6Z)-7-oxo-6-(5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]benzoxazol-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 23688042
(5R,6Z)-6-[(1-methyl-1,2,4-triazol-3-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 14829824
(5R,6Z)-7-oxo-6-[(1-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methylidene]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 70012229
(5R)-6-[(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 66766921
(5R,6Z)-7-oxo-6-(quinoxalin-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 150611193
(6Z)-6-[(1-methylbenzotriazol-5-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 70439565

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 69135825) is 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is O=C(O)C1=CSC2C(=Cc3cc4c(o3)CCC4)C(=O)N12.
What is the InChIKey of 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is ACMPAEDLERRGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c16-12-9(13-15(12)10(6-20-13)14(17)18)5-8-4-7-2-1-3-11(7)19-8/h4-6,13H,1-3H2,(H,17,18).
What are the key properties of 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-cyclopenta[b]furan-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 69135825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).