N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide

C15H18N2O3 — CID 146077438

IUPACN-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C15H18N2O3/c1-2-14(18)16-12-10-15(19)17(11-12)8-9-20-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,16,18)
InChIKeyFUTCSFSMPSHDRS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.97
Rot. Bonds6

About N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide

N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 146077438) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID146077438
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C15H18N2O3/c1-2-14(18)16-12-10-15(19)17(11-12)8-9-20-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,16,18)
InChIKeyFUTCSFSMPSHDRS-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
(2R)-2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]propanamide;hydrochloride
CID 119334873
3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 120501604
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119334859
2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
CID 119803358
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119803338
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119803364
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 120636021
ethyl N-[(2S)-3-methyl-1-oxo-1-[[(3R)-5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]amino]butan-2-yl]carbamate
CID 96509307
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide (CID 146077438) is N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CC(=O)N(CCOc2ccccc2)C1.
What is the InChIKey of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is FUTCSFSMPSHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-14(18)16-12-10-15(19)17(11-12)8-9-20-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,16,18).
What are the key properties of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide?
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 146077438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).