1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride

C11H17ClN4O — CID 135599688

IUPAC1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride
SMILESCCN/N=C/NC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C11H16N4O.ClH/c1-3-13-14-8-12-11(16)15-10-7-5-4-6-9(10)2;/h4-8,13H,3H2,1-2H3,(H2,12,14,15,16);1H
InChIKeyZSDOTYZGTMAISI-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.09
Rot. Bonds4

About 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride

1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride (PubChem CID 135599688) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride
PubChem CID135599688
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride
SMILESCCN/N=C/NC(=O)Nc1ccccc1C.Cl
InChIInChI=1S/C11H16N4O.ClH/c1-3-13-14-8-12-11(16)15-10-7-5-4-6-9(10)2;/h4-8,13H,3H2,1-2H3,(H2,12,14,15,16);1H
InChIKeyZSDOTYZGTMAISI-UHFFFAOYSA-N
XLogP2.09
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride?
The IUPAC name of 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride (CID 135599688) is 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride?
The canonical SMILES for 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride is CCN/N=C/NC(=O)Nc1ccccc1C.Cl.
What is the InChIKey of 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride?
The InChIKey is ZSDOTYZGTMAISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.ClH/c1-3-13-14-8-12-11(16)15-10-7-5-4-6-9(10)2;/h4-8,13H,3H2,1-2H3,(H2,12,14,15,16);1H.
What are the key properties of 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride?
1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride has a molecular weight of 256.74 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea;hydrochloride is sourced from PubChem (CID 135599688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).