2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide

C15H16N4O3 — CID 5395320

IUPAC2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1cccn1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N4O3/c1-11(12-5-7-13(8-6-12)19(21)22)16-17-15(20)10-14-4-3-9-18(14)2/h3-9H,10H2,1-2H3,(H,17,20)/b16-11-
InChIKeyLHOOBSWKIAQHPY-WJDWOHSUSA-N
MW300.32 g/mol
LogP2.02
Rot. Bonds5

About 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide (PubChem CID 5395320) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
PubChem CID5395320
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1cccn1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N4O3/c1-11(12-5-7-13(8-6-12)19(21)22)16-17-15(20)10-14-4-3-9-18(14)2/h3-9H,10H2,1-2H3,(H,17,20)/b16-11-
InChIKeyLHOOBSWKIAQHPY-WJDWOHSUSA-N
XLogP2.02
TPSA89.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-(4-bromophenyl)ethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697308
2-(1-methylpyrrol-2-yl)-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6076209
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
2,2,2-trifluoro-N-[4-[C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 3429215
2,2,2-trifluoro-N-[4-[(E)-C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 7114942
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
5-[(Z)-C-methyl-N-[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbonimidoyl]thiophene-2-carboxylic acid
CID 6261064
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide (CID 5395320) is 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cc1cccn1C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is LHOOBSWKIAQHPY-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-11(12-5-7-13(8-6-12)19(21)22)16-17-15(20)10-14-4-3-9-18(14)2/h3-9H,10H2,1-2H3,(H,17,20)/b16-11-.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5395320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).