N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide

C16H18N2O3 — CID 173273840

IUPACN-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
SMILESO=CCN(C(=O)/C=C/c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C16H18N2O3/c19-13-12-18(16(21)17-10-4-5-11-17)15(20)9-8-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2/b9-8+
InChIKeyVFJXOFCDJJEBGF-CMDGGOBGSA-N
MW286.33 g/mol
LogP1.94
Rot. Bonds4

About N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide

N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide (PubChem CID 173273840) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
PubChem CID173273840
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
SMILESO=CCN(C(=O)/C=C/c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C16H18N2O3/c19-13-12-18(16(21)17-10-4-5-11-17)15(20)9-8-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2/b9-8+
InChIKeyVFJXOFCDJJEBGF-CMDGGOBGSA-N
XLogP1.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
CID 70157803
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54287493
(E)-N-cyano-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273963
N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
CID 118026213

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide (CID 173273840) is N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide is O=CCN(C(=O)/C=C/c1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide?
The InChIKey is VFJXOFCDJJEBGF-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-13-12-18(16(21)17-10-4-5-11-17)15(20)9-8-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2/b9-8+.
What are the key properties of N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide?
N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 173273840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).