prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C45H55N2O7PSi — CID 173353971

IUPACprop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)C(N1C(=O)[C@@H]([C@@H](CO[SiH](C)C)C(C)(C)C)[C@H]1CC(=O)C1=CCN(C(=O)OCC=C)CC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H55N2O7PSi/c1-8-29-52-43(50)42(55(34-19-13-10-14-20-34,35-21-15-11-16-22-35)36-23-17-12-18-24-36)47-38(40(41(47)49)37(45(3,4)5)32-54-56(6)7)31-39(48)33-25-27-46(28-26-33)44(51)53-30-9-2/h8-25,37-38,40,56H,1-2,26-32H2,3-7H3/t37-,38-,40+/m1/s1
InChIKeyGMLSMXYZTQDOIV-GGQMZCENSA-N
MW795.00 g/mol
LogP6.24
Rot. Bonds16

About prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate

prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 173353971) has the molecular formula C45H55N2O7PSi and a molecular weight of 795.00 g/mol. Its IUPAC name is prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID173353971
Molecular FormulaC45H55N2O7PSi
Molecular Weight795.00 g/mol
Exact Mass794.35
IUPAC Nameprop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)C(N1C(=O)[C@@H]([C@@H](CO[SiH](C)C)C(C)(C)C)[C@H]1CC(=O)C1=CCN(C(=O)OCC=C)CC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H55N2O7PSi/c1-8-29-52-43(50)42(55(34-19-13-10-14-20-34,35-21-15-11-16-22-35)36-23-17-12-18-24-36)47-38(40(41(47)49)37(45(3,4)5)32-54-56(6)7)31-39(48)33-25-27-46(28-26-33)44(51)53-30-9-2/h8-25,37-38,40,56H,1-2,26-32H2,3-7H3/t37-,38-,40+/m1/s1
InChIKeyGMLSMXYZTQDOIV-GGQMZCENSA-N
XLogP6.24
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate 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 prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 173353971) is prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCOC(=O)C(N1C(=O)[C@@H]([C@@H](CO[SiH](C)C)C(C)(C)C)[C@H]1CC(=O)C1=CCN(C(=O)OCC=C)CC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GMLSMXYZTQDOIV-GGQMZCENSA-N. The full InChI is InChI=1S/C45H55N2O7PSi/c1-8-29-52-43(50)42(55(34-19-13-10-14-20-34,35-21-15-11-16-22-35)36-23-17-12-18-24-36)47-38(40(41(47)49)37(45(3,4)5)32-54-56(6)7)31-39(48)33-25-27-46(28-26-33)44(51)53-30-9-2/h8-25,37-38,40,56H,1-2,26-32H2,3-7H3/t37-,38-,40+/m1/s1.
What are the key properties of prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 795.00 g/mol, XLogP of 6.24, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[2-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 173353971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).