cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate

C14H15NO3 — CID 102145889

IUPACcis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@H]1C[C@]1(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C14H15NO3/c1-3-11-9-14(11,13(17)18-2)15-12(16)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3,(H,15,16)/t11-,14+/m0/s1
InChIKeyRMZOJROCNHLLHA-SMDDNHRTSA-N
MW245.28 g/mol
LogP1.53
Rot. Bonds4

About cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate

cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate (PubChem CID 102145889) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
PubChem CID102145889
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namecis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@H]1C[C@]1(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C14H15NO3/c1-3-11-9-14(11,13(17)18-2)15-12(16)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3,(H,15,16)/t11-,14+/m0/s1
InChIKeyRMZOJROCNHLLHA-SMDDNHRTSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate (CID 102145889) is cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate is C=C[C@H]1C[C@]1(NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate?
The InChIKey is RMZOJROCNHLLHA-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-11-9-14(11,13(17)18-2)15-12(16)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3,(H,15,16)/t11-,14+/m0/s1.
What are the key properties of cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate?
cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102145889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).