1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

C10H13N3O2 — CID 136594312

IUPAC1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESCCNC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H13N3O2/c1-2-11-10(15)13-12-7-8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+
InChIKeyQKXFXQJNULYWGP-KPKJPENVSA-N
MW207.23 g/mol
LogP1.05
Rot. Bonds3

About 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (PubChem CID 136594312) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
PubChem CID136594312
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESCCNC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C10H13N3O2/c1-2-11-10(15)13-12-7-8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+
InChIKeyQKXFXQJNULYWGP-KPKJPENVSA-N
XLogP1.05
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Salicylaldehyde Thiosemicarbazone
CID 135423926
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
2-[(2-Hydroxyphenyl)methylene]-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]hydrazinecarboxamide
CID 335340
(E)-4-(2-(2-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 135630654
2-[(2-hydroxyphenyl)methylene]-N-(3-methoxypropyl)hydrazine-1-carbothioamide
CID 135452581
1,5-Bis(salicylidene)carbohydrazide
CID 96015
2-Hydroxybenzaldehyde thiosemicarbazone
CID 727917
1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135408529
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylthiourea
CID 135533447
1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea
CID 6902552

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (CID 136594312) is 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is CCNC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is QKXFXQJNULYWGP-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-11-10(15)13-12-7-8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+.
What are the key properties of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 207.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 136594312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).