1-ethyl-3-imino-1-phenylurea

C9H11N3O — CID 70142844

IUPAC1-ethyl-3-imino-1-phenylurea
SMILES[H]/N=N/C(=O)N(CC)c1ccccc1
InChIInChI=1S/C9H11N3O/c1-2-12(9(13)11-10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3/b11-10+
InChIKeyZVYANJREPSKYCA-ZHACJKMWSA-N
MW177.21 g/mol
LogP2.66
Rot. Bonds2

About 1-ethyl-3-imino-1-phenylurea

1-ethyl-3-imino-1-phenylurea (PubChem CID 70142844) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-ethyl-3-imino-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-imino-1-phenylurea
PubChem CID70142844
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-ethyl-3-imino-1-phenylurea
SMILES[H]/N=N/C(=O)N(CC)c1ccccc1
InChIInChI=1S/C9H11N3O/c1-2-12(9(13)11-10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3/b11-10+
InChIKeyZVYANJREPSKYCA-ZHACJKMWSA-N
XLogP2.66
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
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1,3-diethyl-1,3-diphenylselenourea
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5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
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N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
ethyl 4-(N-ethyl-N-phenylcarbamimidoyl)benzoate
CID 142670505
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea
CID 21413896
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-imino-1-phenylurea?
The IUPAC name of 1-ethyl-3-imino-1-phenylurea (CID 70142844) is 1-ethyl-3-imino-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-imino-1-phenylurea?
The canonical SMILES for 1-ethyl-3-imino-1-phenylurea is [H]/N=N/C(=O)N(CC)c1ccccc1.
What is the InChIKey of 1-ethyl-3-imino-1-phenylurea?
The InChIKey is ZVYANJREPSKYCA-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-12(9(13)11-10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3/b11-10+.
What are the key properties of 1-ethyl-3-imino-1-phenylurea?
1-ethyl-3-imino-1-phenylurea has a molecular weight of 177.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-imino-1-phenylurea is sourced from PubChem (CID 70142844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).