1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid

C17H21NO3 — CID 132969360

IUPAC1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid
SMILESC/C(=C\C(=O)N1CCC(C(=O)O)C1)CCc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(7-8-14-5-3-2-4-6-14)11-16(19)18-10-9-15(12-18)17(20)21/h2-6,11,15H,7-10,12H2,1H3,(H,20,21)/b13-11+
InChIKeyGYFQSBHNNVWAFL-ACCUITESSA-N
MW287.36 g/mol
LogP2.50
Rot. Bonds5

About 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid

1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid (PubChem CID 132969360) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid
PubChem CID132969360
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid
SMILESC/C(=C\C(=O)N1CCC(C(=O)O)C1)CCc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(7-8-14-5-3-2-4-6-14)11-16(19)18-10-9-15(12-18)17(20)21/h2-6,11,15H,7-10,12H2,1H3,(H,20,21)/b13-11+
InChIKeyGYFQSBHNNVWAFL-ACCUITESSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyphenyl)-3-methylbut-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126770838
1-[2-(2-phenylethylsulfanyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63031975
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[2-(2-phenylethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355127
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid
CID 126782847
1-[(E)-3-(2-chlorophenyl)but-2-enoyl]piperidine-4-carboxylic acid
CID 132984174
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid (CID 132969360) is 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid is C/C(=C\C(=O)N1CCC(C(=O)O)C1)CCc1ccccc1.
What is the InChIKey of 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GYFQSBHNNVWAFL-ACCUITESSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(7-8-14-5-3-2-4-6-14)11-16(19)18-10-9-15(12-18)17(20)21/h2-6,11,15H,7-10,12H2,1H3,(H,20,21)/b13-11+.
What are the key properties of 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid?
1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 132969360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).