5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid

C18H17NO4 — CID 124890677

IUPAC5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)o1
InChIInChI=1S/C18H17NO4/c20-17(15-10-11-16(23-15)18(21)22)19-12-4-7-14(19)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-11,14H,4,7,12H2,(H,21,22)/b9-8+/t14-/m1/s1
InChIKeyYLPCBVIOBMRWIX-MYSGNRETSA-N
MW311.34 g/mol
LogP3.30
Rot. Bonds4

About 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid

5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid (PubChem CID 124890677) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
PubChem CID124890677
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)o1
InChIInChI=1S/C18H17NO4/c20-17(15-10-11-16(23-15)18(21)22)19-12-4-7-14(19)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-11,14H,4,7,12H2,(H,21,22)/b9-8+/t14-/m1/s1
InChIKeyYLPCBVIOBMRWIX-MYSGNRETSA-N
XLogP3.30
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[2-[(E)-2-thiophen-2-ylethenyl]azepane-1-carbonyl]furan-2-carboxylic acid
CID 120552822
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849
4-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674341
5-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574550
5-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl]furan-2-carboxylic acid
CID 124574603
5-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574551
[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 126786794
N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 91944122
5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide
CID 75501574
2-methyl-6-[(2S)-2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridazin-3-one
CID 97030316
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid (CID 124890677) is 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)o1.
What is the InChIKey of 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
The InChIKey is YLPCBVIOBMRWIX-MYSGNRETSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(15-10-11-16(23-15)18(21)22)19-12-4-7-14(19)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-11,14H,4,7,12H2,(H,21,22)/b9-8+/t14-/m1/s1.
What are the key properties of 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid?
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid is sourced from PubChem (CID 124890677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).