N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C16H15N3O3 — CID 5466613

IUPACN-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(N/N=C\c1ccco1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O3/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21)/b17-10-
InChIKeyOYNCGJBHRQUBMO-YVLHZVERSA-N
MW297.31 g/mol
LogP1.78
Rot. Bonds4

About N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 5466613) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID5466613
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(N/N=C\c1ccco1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O3/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21)/b17-10-
InChIKeyOYNCGJBHRQUBMO-YVLHZVERSA-N
XLogP1.78
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126175921
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 555109
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
CID 2883253
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
(3R)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40529880
(3R)-N-[(Z)-benzylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159429
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846
(3R)-1-(4-bromophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126273303
(3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299635
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159471
(3R)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 126265507
(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136794190

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 5466613) is N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(N/N=C\c1ccco1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is OYNCGJBHRQUBMO-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21)/b17-10-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 5466613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).