[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride

C10H15ClN4O — CID 24838835

IUPAC[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride
SMILESCl.NC(=O)N/N=C/C(N)Cc1ccccc1
InChIInChI=1S/C10H14N4O.ClH/c11-9(7-13-14-10(12)15)6-8-4-2-1-3-5-8;/h1-5,7,9H,6,11H2,(H3,12,14,15);1H/b13-7+;
InChIKeyJTMOMYWULYQQKX-FTPOTTDRSA-N
MW242.71 g/mol
LogP0.63
Rot. Bonds4

About [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride

[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride (PubChem CID 24838835) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride.

Molecular Properties

Compound Name[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride
PubChem CID24838835
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride
SMILESCl.NC(=O)N/N=C/C(N)Cc1ccccc1
InChIInChI=1S/C10H14N4O.ClH/c11-9(7-13-14-10(12)15)6-8-4-2-1-3-5-8;/h1-5,7,9H,6,11H2,(H3,12,14,15);1H/b13-7+;
InChIKeyJTMOMYWULYQQKX-FTPOTTDRSA-N
XLogP0.63
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride?
The IUPAC name of [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride (CID 24838835) is [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride.
What is the SMILES notation for [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride?
The canonical SMILES for [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride is Cl.NC(=O)N/N=C/C(N)Cc1ccccc1.
What is the InChIKey of [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride?
The InChIKey is JTMOMYWULYQQKX-FTPOTTDRSA-N. The full InChI is InChI=1S/C10H14N4O.ClH/c11-9(7-13-14-10(12)15)6-8-4-2-1-3-5-8;/h1-5,7,9H,6,11H2,(H3,12,14,15);1H/b13-7+;.
What are the key properties of [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride?
[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride is sourced from PubChem (CID 24838835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).