(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide

C22H22N2O2 — CID 155278050

IUPAC(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C22H22N2O2/c25-21(14-13-18-9-3-1-4-10-18)23-20(17-19-11-5-2-6-12-19)22(26)24-15-7-8-16-24/h1-6,9-14,17H,7-8,15-16H2,(H,23,25)/b14-13+,20-17-
InChIKeyFUJTYYUPIGDPRD-GTZCIXAKSA-N
MW346.43 g/mol
LogP3.48
Rot. Bonds5

About (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide

(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide (PubChem CID 155278050) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
PubChem CID155278050
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C22H22N2O2/c25-21(14-13-18-9-3-1-4-10-18)23-20(17-19-11-5-2-6-12-19)22(26)24-15-7-8-16-24/h1-6,9-14,17H,7-8,15-16H2,(H,23,25)/b14-13+,20-17-
InChIKeyFUJTYYUPIGDPRD-GTZCIXAKSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.48
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

(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
(E)-N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 45069140
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
4-phenyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 57310756
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 17271674
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide
CID 1110718

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide (CID 155278050) is (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide?
The InChIKey is FUJTYYUPIGDPRD-GTZCIXAKSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(14-13-18-9-3-1-4-10-18)23-20(17-19-11-5-2-6-12-19)22(26)24-15-7-8-16-24/h1-6,9-14,17H,7-8,15-16H2,(H,23,25)/b14-13+,20-17-.
What are the key properties of (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide?
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 155278050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).