(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide

C13H13ClN4O — CID 177461949

IUPAC(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(Cl)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H13ClN4O/c14-10-3-5-11(6-4-10)16-17-12(9-15)13(19)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2/b17-12+
InChIKeyFUWIJEUUENVEKT-SFQUDFHCSA-N
MW276.73 g/mol
LogP2.25
Rot. Bonds3

About (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide

(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide (PubChem CID 177461949) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
PubChem CID177461949
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(Cl)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H13ClN4O/c14-10-3-5-11(6-4-10)16-17-12(9-15)13(19)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2/b17-12+
InChIKeyFUWIJEUUENVEKT-SFQUDFHCSA-N
XLogP2.25
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide
CID 134103700
N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
CID 76545643
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
CID 4249266
(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6389425
(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
CID 12526358
(1E)-N-(4-methyl-2-nitroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 134118632
N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
CID 587095
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289
(1Z)-2-amino-N-[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979643
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
2-cyclopropyl-N-(3,4-dichloroanilino)-2-oxoethanimidoyl cyanide
CID 2818912

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide?
The IUPAC name of (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide (CID 177461949) is (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide.
What is the SMILES notation for (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide?
The canonical SMILES for (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide is N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)N1CCCC1.
What is the InChIKey of (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide?
The InChIKey is FUWIJEUUENVEKT-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-10-3-5-11(6-4-10)16-17-12(9-15)13(19)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2/b17-12+.
What are the key properties of (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide?
(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide has a molecular weight of 276.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide is sourced from PubChem (CID 177461949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).