ethane;1-(4-ethylphenyl)ethenyliminourea

C13H19N3O — CID 142452540

IUPACethane;1-(4-ethylphenyl)ethenyliminourea
SMILESC=C(/N=N/C(N)=O)c1ccc(CC)cc1.CC
InChIInChI=1S/C11H13N3O.C2H6/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15;1-2/h4-7H,2-3H2,1H3,(H2,12,15);1-2H3/b14-13+;
InChIKeyXFYHSTCRFISKKH-IERUDJENSA-N
MW233.31 g/mol
LogP3.78
Rot. Bonds3

About ethane;1-(4-ethylphenyl)ethenyliminourea

ethane;1-(4-ethylphenyl)ethenyliminourea (PubChem CID 142452540) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is ethane;1-(4-ethylphenyl)ethenyliminourea.

Molecular Properties

Compound Nameethane;1-(4-ethylphenyl)ethenyliminourea
PubChem CID142452540
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Nameethane;1-(4-ethylphenyl)ethenyliminourea
SMILESC=C(/N=N/C(N)=O)c1ccc(CC)cc1.CC
InChIInChI=1S/C11H13N3O.C2H6/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15;1-2/h4-7H,2-3H2,1H3,(H2,12,15);1-2H3/b14-13+;
InChIKeyXFYHSTCRFISKKH-IERUDJENSA-N
XLogP3.78
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.78
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

ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
4-(4-ethylphenyl)benzamide
CID 53425878
4-ethylbenzoic acid;formaldehyde
CID 155718391
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
1-(4-ethylphenyl)-2-methylidenebutan-1-one
CID 139929668
4-ethylbenzoyl iodide
CID 89147367
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-ethylbenzoyl azide
CID 43307154

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylphenyl)ethenyliminourea?
The IUPAC name of ethane;1-(4-ethylphenyl)ethenyliminourea (CID 142452540) is ethane;1-(4-ethylphenyl)ethenyliminourea.
What is the SMILES notation for ethane;1-(4-ethylphenyl)ethenyliminourea?
The canonical SMILES for ethane;1-(4-ethylphenyl)ethenyliminourea is C=C(/N=N/C(N)=O)c1ccc(CC)cc1.CC.
What is the InChIKey of ethane;1-(4-ethylphenyl)ethenyliminourea?
The InChIKey is XFYHSTCRFISKKH-IERUDJENSA-N. The full InChI is InChI=1S/C11H13N3O.C2H6/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15;1-2/h4-7H,2-3H2,1H3,(H2,12,15);1-2H3/b14-13+;.
What are the key properties of ethane;1-(4-ethylphenyl)ethenyliminourea?
ethane;1-(4-ethylphenyl)ethenyliminourea has a molecular weight of 233.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylphenyl)ethenyliminourea is sourced from PubChem (CID 142452540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).