cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate

C14H21NO5 — CID 101363039

IUPACcis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate
SMILESC=C[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H21NO5/c1-6-9-7-14(12(17)19-4,13(18)20-5)8-10(9)11(16)15(2)3/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m1/s1
InChIKeyJEAVVZNTZNBRHO-NXEZZACHSA-N
MW283.32 g/mol
LogP0.62
Rot. Bonds4

About cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate

cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate (PubChem CID 101363039) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate
PubChem CID101363039
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namecis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate
SMILESC=C[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=O)N(C)C
InChIInChI=1S/C14H21NO5/c1-6-9-7-14(12(17)19-4,13(18)20-5)8-10(9)11(16)15(2)3/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m1/s1
InChIKeyJEAVVZNTZNBRHO-NXEZZACHSA-N
XLogP0.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-dimethyl (3S,4R)-3-ethenyl-4-(pyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363040
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
diethyl (3S)-3-ethenyl-4-formylcyclopentane-1,1-dicarboxylate
CID 154715867
dimethyl (3R,4R,5S)-3-hydroxy-4-methyl-5-(2-methylprop-1-enyl)cyclohexane-1,1-dicarboxylate
CID 51031098
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
CID 73231611
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
methyl 2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 22091728
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
trans-diethyl (3S,4S)-3-ethenyl-4-[(E)-3-methyl-1-phenylbut-1-enyl]cyclopentane-1,1-dicarboxylate
CID 177396679
methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate (CID 101363039) is cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate is C=C[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C(=O)N(C)C.
What is the InChIKey of cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate?
The InChIKey is JEAVVZNTZNBRHO-NXEZZACHSA-N. The full InChI is InChI=1S/C14H21NO5/c1-6-9-7-14(12(17)19-4,13(18)20-5)8-10(9)11(16)15(2)3/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m1/s1.
What are the key properties of cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate?
cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate has a molecular weight of 283.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (3R,4S)-3-(dimethylcarbamoyl)-4-ethenylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101363039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).