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

C16H16N2O4 — CID 892483

IUPACN-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C16H16N2O4/c19-15(14-6-4-10-22-14)17-13(11-12-5-3-9-21-12)16(20)18-7-1-2-8-18/h3-6,9-11H,1-2,7-8H2,(H,17,19)/b13-11+
InChIKeyKRIUIXGFXPVZEN-ACCUITESSA-N
MW300.31 g/mol
LogP2.27
Rot. Bonds4

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

N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 892483) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID892483
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C16H16N2O4/c19-15(14-6-4-10-22-14)17-13(11-12-5-3-9-21-12)16(20)18-7-1-2-8-18/h3-6,9-11H,1-2,7-8H2,(H,17,19)/b13-11+
InChIKeyKRIUIXGFXPVZEN-ACCUITESSA-N
XLogP2.27
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
CID 2908322
N-[(Z)-3-(azepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2,4-dichlorobenzamide
CID 45069037
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
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CID 1096231
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CID 5448139
2-chloro-N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 1163152
N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
N-[(Z)-1-(furan-2-yl)-3-(5-methyl-1,5-diazocan-1-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
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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]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (CID 892483) is N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is O=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is KRIUIXGFXPVZEN-ACCUITESSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(14-6-4-10-22-14)17-13(11-12-5-3-9-21-12)16(20)18-7-1-2-8-18/h3-6,9-11H,1-2,7-8H2,(H,17,19)/b13-11+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]furan-2-carboxamide is sourced from PubChem (CID 892483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).