cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate

C15H19NO7 — CID 101363043

IUPACcis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate
SMILESC=C[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C15H19NO7/c1-4-9-7-15(12(18)21-2,13(19)22-3)8-10(9)11(17)16-5-6-23-14(16)20/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyWUJCWOPWRXQTSD-NXEZZACHSA-N
MW325.32 g/mol
LogP0.51
Rot. Bonds4

About cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate

cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate (PubChem CID 101363043) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate
PubChem CID101363043
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Namecis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate
SMILESC=C[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C15H19NO7/c1-4-9-7-15(12(18)21-2,13(19)22-3)8-10(9)11(17)16-5-6-23-14(16)20/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyWUJCWOPWRXQTSD-NXEZZACHSA-N
XLogP0.51
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-dimethyl (3R,4S)-3-(2,5-dioxopyrrolidine-1-carbonyl)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 101363038
cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 101363039
cis-dimethyl (3S,4R)-3-ethenyl-4-(pyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363040
cis-dimethyl (3S,4R)-3-ethenyl-4-(piperidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363041
cis-dimethyl (3S,4R)-3-ethenyl-4-(2-methoxycarbonylpyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363042
cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxopyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363044

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate (CID 101363043) is cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate is C=C[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is WUJCWOPWRXQTSD-NXEZZACHSA-N. The full InChI is InChI=1S/C15H19NO7/c1-4-9-7-15(12(18)21-2,13(19)22-3)8-10(9)11(17)16-5-6-23-14(16)20/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate?
cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 325.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101363043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).