(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide

C20H20N4O2 — CID 6055762

IUPAC(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
SMILESO=C(/C=C/C(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(12-13-20(26)24-14-4-5-15-24)21-16-8-10-18(11-9-16)23-22-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H,21,25)/b13-12+,23-22+
InChIKeyNSSNSDCHPYOYPG-JLOFEOLUSA-N
MW348.41 g/mol
LogP4.22
Rot. Bonds5

About (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide

(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide (PubChem CID 6055762) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
PubChem CID6055762
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
SMILESO=C(/C=C/C(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(12-13-20(26)24-14-4-5-15-24)21-16-8-10-18(11-9-16)23-22-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H,21,25)/b13-12+,23-22+
InChIKeyNSSNSDCHPYOYPG-JLOFEOLUSA-N
XLogP4.22
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
CID 4275353
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
(E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-phenylbut-2-enamide
CID 9340890
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 73272877
(E)-4-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-N-(4-fluorophenyl)-4-oxobut-2-enamide
CID 110009436
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
The IUPAC name of (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide (CID 6055762) is (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide is O=C(/C=C/C(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
The InChIKey is NSSNSDCHPYOYPG-JLOFEOLUSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(12-13-20(26)24-14-4-5-15-24)21-16-8-10-18(11-9-16)23-22-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H,21,25)/b13-12+,23-22+.
What are the key properties of (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide is sourced from PubChem (CID 6055762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).