1-ethyl-1-(2-hydroxyethanimidoyl)urea

C5H11N3O2 — CID 155789915

IUPAC1-ethyl-1-(2-hydroxyethanimidoyl)urea
SMILES[H]/N=C(\CO)N(CC)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-2-8(5(7)10)4(6)3-9/h6,9H,2-3H2,1H3,(H2,7,10)/b6-4+
InChIKeyZBXMEXCOMPKYSQ-GQCTYLIASA-N
MW145.16 g/mol
LogP-0.64
Rot. Bonds2

About 1-ethyl-1-(2-hydroxyethanimidoyl)urea

1-ethyl-1-(2-hydroxyethanimidoyl)urea (PubChem CID 155789915) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethanimidoyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethanimidoyl)urea
PubChem CID155789915
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name1-ethyl-1-(2-hydroxyethanimidoyl)urea
SMILES[H]/N=C(\CO)N(CC)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-2-8(5(7)10)4(6)3-9/h6,9H,2-3H2,1H3,(H2,7,10)/b6-4+
InChIKeyZBXMEXCOMPKYSQ-GQCTYLIASA-N
XLogP-0.64
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea
CID 146176700
2-(diethylamino)ethanimidamide
CID 3259588
N-carbamimidoyl-N-ethylbenzamide
CID 138105289
acetic acid;1-amino-1-ethylguanidine
CID 174864621
1-(3-amino-3-iminopropyl)-3-ethyl-1,3-dimethylurea
CID 79163328
1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
CID 79163244
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
CID 79160800
1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea
CID 79161307
N-amino-N-methylpropanimidamide
CID 123454598
1-ethyl-1-methylurea
CID 3032104
1,1-diethylurea;methanol
CID 88508313
N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide
CID 123163425

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethanimidoyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethanimidoyl)urea (CID 155789915) is 1-ethyl-1-(2-hydroxyethanimidoyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethanimidoyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethanimidoyl)urea is [H]/N=C(\CO)N(CC)C(N)=O.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethanimidoyl)urea?
The InChIKey is ZBXMEXCOMPKYSQ-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-8(5(7)10)4(6)3-9/h6,9H,2-3H2,1H3,(H2,7,10)/b6-4+.
What are the key properties of 1-ethyl-1-(2-hydroxyethanimidoyl)urea?
1-ethyl-1-(2-hydroxyethanimidoyl)urea has a molecular weight of 145.16 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethanimidoyl)urea is sourced from PubChem (CID 155789915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).