N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide

C13H13N3O — CID 781186

IUPACN-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C13H13N3O/c1-10(17)16-12-6-4-11(5-7-12)15-9-13-3-2-8-14-13/h2-9,14H,1H3,(H,16,17)/b15-9+
InChIKeyFZWOZYQRMOKIBH-OQLLNIDSSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds3

About N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide

N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide (PubChem CID 781186) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide
PubChem CID781186
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2ccc[nH]2)cc1
InChIInChI=1S/C13H13N3O/c1-10(17)16-12-6-4-11(5-7-12)15-9-13-3-2-8-14-13/h2-9,14H,1H3,(H,16,17)/b15-9+
InChIKeyFZWOZYQRMOKIBH-OQLLNIDSSA-N
XLogP2.72
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Pyrrol-1-yl-phenylamine
CID 2795457
2-Ethylpyrrole
CID 137075
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetamide
CID 459083
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline
CID 2321749
N-[4-(1H-pyrrol-1-yl)phenyl]cyclopropanecarboxamide
CID 2768250
2-Methyl-1-phenylcarbamoylmethyl-pyridinium
CID 24746771
1-Phenyl-4-(1h-pyrrol-2-ylmethyl)piperazine
CID 12997400
Hydrazinecarboxamide, N-phenyl-2-(1H-pyrrol-2-ylmethylene)-
CID 135472531
3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
CID 198359

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide?
The IUPAC name of N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide (CID 781186) is N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide?
The canonical SMILES for N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2ccc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide?
The InChIKey is FZWOZYQRMOKIBH-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10(17)16-12-6-4-11(5-7-12)15-9-13-3-2-8-14-13/h2-9,14H,1H3,(H,16,17)/b15-9+.
What are the key properties of N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide?
N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide has a molecular weight of 227.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]acetamide is sourced from PubChem (CID 781186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).