cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate

C17H21NO3 — CID 44557722

IUPACcis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C(=O)N2CCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H21NO3/c1-2-21-16(20)17(15(19)18-10-6-7-11-18)12-14(17)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-,17-/m1/s1
InChIKeyVVAHFUFVWUSQNK-RHSMWYFYSA-N
MW287.36 g/mol
LogP2.35
Rot. Bonds4

About cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate

cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate (PubChem CID 44557722) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
PubChem CID44557722
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namecis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C(=O)N2CCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H21NO3/c1-2-21-16(20)17(15(19)18-10-6-7-11-18)12-14(17)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-,17-/m1/s1
InChIKeyVVAHFUFVWUSQNK-RHSMWYFYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
ethyl 2-oxo-2-(3-phenylazepan-1-yl)acetate
CID 90608416
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
diethyl 4-oxo-2-phenylcyclohexane-1,1-dicarboxylate
CID 10757908
diethyl (3aR,8bS)-4-benzyl-8b-methyl-1-phenyl-2,3a-dihydro-1H-cyclopenta[b]indole-3,3-dicarboxylate
CID 15489172
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate (CID 44557722) is cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(C(=O)N2CCCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is VVAHFUFVWUSQNK-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-21-16(20)17(15(19)18-10-6-7-11-18)12-14(17)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-,17-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 44557722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).