N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

C18H18N2O3 — CID 5409301

IUPACN-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17(14-7-2-1-3-8-14)19-16(13-15-9-6-12-23-15)18(22)20-10-4-5-11-20/h1-3,6-9,12-13H,4-5,10-11H2,(H,19,21)/b16-13+
InChIKeyUPXGNBTWILBIJD-DTQAZKPQSA-N
MW310.35 g/mol
LogP2.67
Rot. Bonds4

About N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 5409301) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID5409301
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17(14-7-2-1-3-8-14)19-16(13-15-9-6-12-23-15)18(22)20-10-4-5-11-20/h1-3,6-9,12-13H,4-5,10-11H2,(H,19,21)/b16-13+
InChIKeyUPXGNBTWILBIJD-DTQAZKPQSA-N
XLogP2.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.67
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

N-[1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 820382
N-[(Z)-1-(furan-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6946856
N-[(E)-1-(furan-2-yl)-3-(3-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6021081
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
N-[(Z)-3-(3,5-dimethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6526397
N-[(Z)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6575923
N-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5445738
N-[(Z)-3-(3-ethylsulfanylazepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942676
N-[3-(2-ethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4098297
N-[(Z)-3-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86958535
N-[(Z)-3-(azepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
CID 45069037
N-[(Z)-1-(furan-2-yl)-3-(5-methyl-1,5-diazocan-1-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 143034758

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide (CID 5409301) is N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide is O=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is UPXGNBTWILBIJD-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(14-7-2-1-3-8-14)19-16(13-15-9-6-12-23-15)18(22)20-10-4-5-11-20/h1-3,6-9,12-13H,4-5,10-11H2,(H,19,21)/b16-13+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide?
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5409301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).