2-(2-cyanoanilino)ethylurea

C10H12N4O — CID 83111551

IUPAC2-(2-cyanoanilino)ethylurea
SMILESN#Cc1ccccc1NCCNC(N)=O
InChIInChI=1S/C10H12N4O/c11-7-8-3-1-2-4-9(8)13-5-6-14-10(12)15/h1-4,13H,5-6H2,(H3,12,14,15)
InChIKeyQFIUBPUITMDEOB-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.64
Rot. Bonds4

About 2-(2-cyanoanilino)ethylurea

2-(2-cyanoanilino)ethylurea (PubChem CID 83111551) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2-cyanoanilino)ethylurea.

Molecular Properties

Compound Name2-(2-cyanoanilino)ethylurea
PubChem CID83111551
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(2-cyanoanilino)ethylurea
SMILESN#Cc1ccccc1NCCNC(N)=O
InChIInChI=1S/C10H12N4O/c11-7-8-3-1-2-4-9(8)13-5-6-14-10(12)15/h1-4,13H,5-6H2,(H3,12,14,15)
InChIKeyQFIUBPUITMDEOB-UHFFFAOYSA-N
XLogP0.64
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
(2-cyanophenyl)urea
CID 13155570
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
2-(3-aminopropylamino)benzonitrile
CID 62269856
2-(2-cyano-6-methylanilino)ethylurea
CID 107107166
2-(5-aminopentylamino)benzonitrile
CID 164917879
2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
2-(2-amino-5-cyanoanilino)ethylurea
CID 104712227
2-(3-aminobutylamino)benzonitrile
CID 63251194
3-(2-cyanoanilino)-N,N-diethylpropanamide
CID 54935351
2-(3-hydroxybutylamino)benzonitrile
CID 64910857

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)ethylurea?
The IUPAC name of 2-(2-cyanoanilino)ethylurea (CID 83111551) is 2-(2-cyanoanilino)ethylurea.
What is the SMILES notation for 2-(2-cyanoanilino)ethylurea?
The canonical SMILES for 2-(2-cyanoanilino)ethylurea is N#Cc1ccccc1NCCNC(N)=O.
What is the InChIKey of 2-(2-cyanoanilino)ethylurea?
The InChIKey is QFIUBPUITMDEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-7-8-3-1-2-4-9(8)13-5-6-14-10(12)15/h1-4,13H,5-6H2,(H3,12,14,15).
What are the key properties of 2-(2-cyanoanilino)ethylurea?
2-(2-cyanoanilino)ethylurea has a molecular weight of 204.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)ethylurea is sourced from PubChem (CID 83111551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).