[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea

C13H14N4O — CID 50855920

IUPAC[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea
SMILESCc1ccc(/C=N/NC(N)=O)n1-c1ccccc1
InChIInChI=1S/C13H14N4O/c1-10-7-8-12(9-15-16-13(14)18)17(10)11-5-3-2-4-6-11/h2-9H,1H3,(H3,14,16,18)/b15-9+
InChIKeyRBRVAFHGPBPWPV-OQLLNIDSSA-N
MW242.28 g/mol
LogP1.79
Rot. Bonds3

About [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea

[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea (PubChem CID 50855920) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea
PubChem CID50855920
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea
SMILESCc1ccc(/C=N/NC(N)=O)n1-c1ccccc1
InChIInChI=1S/C13H14N4O/c1-10-7-8-12(9-15-16-13(14)18)17(10)11-5-3-2-4-6-11/h2-9H,1H3,(H3,14,16,18)/b15-9+
InChIKeyRBRVAFHGPBPWPV-OQLLNIDSSA-N
XLogP1.79
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
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'}

Analyze [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 50856364
N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 50855840
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50855888
2-(2-chlorophenoxy)-N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 50856410
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 5425600
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 50856366
[(E)-benzylideneamino]urea
CID 6861419
2-fluoro-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzamide
CID 50856631
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzamide
CID 50856591
[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea
CID 6267835
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
7-methoxy-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 50856409

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea (CID 50855920) is [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea is Cc1ccc(/C=N/NC(N)=O)n1-c1ccccc1.
What is the InChIKey of [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea?
The InChIKey is RBRVAFHGPBPWPV-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10-7-8-12(9-15-16-13(14)18)17(10)11-5-3-2-4-6-11/h2-9H,1H3,(H3,14,16,18)/b15-9+.
What are the key properties of [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea?
[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea has a molecular weight of 242.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea is sourced from PubChem (CID 50855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).