1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide

C18H18N4O5 — CID 17232967

IUPAC1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESC/C(=N\NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O5/c1-12(13-4-6-15(7-5-13)22(25)26)19-20-18(24)14-9-17(23)21(10-14)11-16-3-2-8-27-16/h2-8,14H,9-11H2,1H3,(H,20,24)/b19-12+
InChIKeyUGHIQPNWOMASOF-XDHOZWIPSA-N
MW370.37 g/mol
LogP2.08
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17232967) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide
PubChem CID17232967
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESC/C(=N\NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O5/c1-12(13-4-6-15(7-5-13)22(25)26)19-20-18(24)14-9-17(23)21(10-14)11-16-3-2-8-27-16/h2-8,14H,9-11H2,1H3,(H,20,24)/b19-12+
InChIKeyUGHIQPNWOMASOF-XDHOZWIPSA-N
XLogP2.08
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide (CID 17232967) is 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide is C/C(=N\NC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UGHIQPNWOMASOF-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-12(13-4-6-15(7-5-13)22(25)26)19-20-18(24)14-9-17(23)21(10-14)11-16-3-2-8-27-16/h2-8,14H,9-11H2,1H3,(H,20,24)/b19-12+.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17232967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).