2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide

C13H14N4O — CID 135641150

IUPAC2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1ccc[nH]1
InChIInChI=1S/C13H14N4O/c18-13(10-15-11-5-2-1-3-6-11)17-16-9-12-7-4-8-14-12/h1-9,14-15H,10H2,(H,17,18)/b16-9+
InChIKeyYVYQTRCQWQEJEO-CXUHLZMHSA-N
MW242.28 g/mol
LogP1.58
Rot. Bonds5

About 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide

2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide (PubChem CID 135641150) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
PubChem CID135641150
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1ccc[nH]1
InChIInChI=1S/C13H14N4O/c18-13(10-15-11-5-2-1-3-6-11)17-16-9-12-7-4-8-14-12/h1-9,14-15H,10H2,(H,17,18)/b16-9+
InChIKeyYVYQTRCQWQEJEO-CXUHLZMHSA-N
XLogP1.58
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
2-benzylsulfanyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135645780
N-(1H-pyrrol-2-ylmethylideneamino)pentanamide
CID 4048770
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide
CID 135716593
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
benzyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135770392
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
N-(1H-pyrrol-2-ylmethylideneamino)decanamide
CID 4196902
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide (CID 135641150) is 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C/c1ccc[nH]1.
What is the InChIKey of 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The InChIKey is YVYQTRCQWQEJEO-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(10-15-11-5-2-1-3-6-11)17-16-9-12-7-4-8-14-12/h1-9,14-15H,10H2,(H,17,18)/b16-9+.
What are the key properties of 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide has a molecular weight of 242.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 135641150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).