prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C37H39NO10 — CID 59965530

About prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 59965530) has the molecular formula C37H39NO10 and a molecular weight of 657.72 g/mol. Its IUPAC name is prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• PubChem CID: 59965530
• Molecular Formula: C37H39NO10
• Molecular Weight: 657.72 g/mol
• Exact Mass: 657.26
• IUPAC Name: prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• SMILES: C=CCOOC(=O)C(C)C1C(=O)N2C(C(=O)OCC=C)=C(COc3cccc4c3-c3ccc(CCCO)cc3/C4=C/C(=O)OC)[C@H](C)C12
• InChI: InChI=1S/C37H39NO10/c1-6-16-45-37(43)34-28(21(3)33-31(35(41)38(33)34)22(4)36(42)48-47-17-7-2)20-46-29-12-8-11-24-27(19-30(40)44-5)26-18-23(10-9-15-39)13-14-25(26)32(24)29/h6-8,11-14,18-19,21-22,31,33,39H,1-2,9-10,15-17,20H2,3-5H3/b27-19+/t21-,22?,31?,33?/m0/s1
• InChIKey: FLGXWFNWMNPULP-BAGPFANISA-N
• XLogP: 4.33
• TPSA: 137.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.72
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The IUPAC name of prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 59965530) is prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

What is the SMILES notation for prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The canonical SMILES for prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is C=CCOOC(=O)C(C)C1C(=O)N2C(C(=O)OCC=C)=C(COc3cccc4c3-c3ccc(CCCO)cc3/C4=C/C(=O)OC)[C@H](C)C12.

What is the InChIKey of prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The InChIKey is FLGXWFNWMNPULP-BAGPFANISA-N. The full InChI is InChI=1S/C37H39NO10/c1-6-16-45-37(43)34-28(21(3)33-31(35(41)38(33)34)22(4)36(42)48-47-17-7-2)20-46-29-12-8-11-24-27(19-30(40)44-5)26-18-23(10-9-15-39)13-14-25(26)32(24)29/h6-8,11-14,18-19,21-22,31,33,39H,1-2,9-10,15-17,20H2,3-5H3/b27-19+/t21-,22?,31?,33?/m0/s1.

What are the key properties of prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 657.72 g/mol, XLogP of 4.33, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (4S)-3-[[(9Z)-7-(3-hydroxypropyl)-9-(2-methoxy-2-oxoethylidene)fluoren-4-yl]oxymethyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 59965530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).