[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea

C14H22N4O — CID 5346375

IUPAC[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea
SMILESCc1cc(/C=N/NC(N)=O)c(C)n1C1CCCCC1
InChIInChI=1S/C14H22N4O/c1-10-8-12(9-16-17-14(15)19)11(2)18(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H3,15,17,19)/b16-9+
InChIKeyOPJPYFKODQQFQX-CXUHLZMHSA-N
MW262.36 g/mol
LogP2.61
Rot. Bonds3

About [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea

[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea (PubChem CID 5346375) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea
PubChem CID5346375
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea
SMILESCc1cc(/C=N/NC(N)=O)c(C)n1C1CCCCC1
InChIInChI=1S/C14H22N4O/c1-10-8-12(9-16-17-14(15)19)11(2)18(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H3,15,17,19)/b16-9+
InChIKeyOPJPYFKODQQFQX-CXUHLZMHSA-N
XLogP2.61
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.61
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)-(1-cyclohexyl-2,5-dimethylpyrrol-3-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

(2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinecarboxamide
CID 5346477
[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea
CID 5346381
N'-[(E)-(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-YL)methylidene]methoxycarbohydrazide
CID 21157845
[(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea
CID 5347423
N'-[(E)-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-YL]methylidene]methoxycarbohydrazide
CID 46499169
Semicarbazide, 2-((4,7-dihydro-5(or 6)-methyl-2-phenyl-2H-isoindol-1-yl)methylene)-
CID 9587921
[(E)-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]thiourea
CID 6899687
[(E)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]urea
CID 9580689
[(E)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylideneamino]urea
CID 76331890
[(E)-1-(4-pyrrol-1-ylphenyl)ethylideneamino]urea
CID 76335456
[(Z)-1-pyridin-4-ylbutylideneamino]urea
CID 172436668
[[2,5-Dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]thiourea
CID 878236

Frequently Asked Questions

What is the IUPAC name of [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea?
The IUPAC name of [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea (CID 5346375) is [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea is Cc1cc(/C=N/NC(N)=O)c(C)n1C1CCCCC1.
What is the InChIKey of [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea?
The InChIKey is OPJPYFKODQQFQX-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-12(9-16-17-14(15)19)11(2)18(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H3,15,17,19)/b16-9+.
What are the key properties of [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea?
[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea has a molecular weight of 262.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]urea is sourced from PubChem (CID 5346375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).