1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea

Name: 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₅N₃O₂ — CID 13119872

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea

SMILESCCNC(=O)Nc1cccc(/C(C)=N/O)c1

InChIInChI=1S/C11H15N3O2/c1-3-12-11(15)13-10-6-4-5-9(7-10)8(2)14-16/h4-7,16H,3H2,1-2H3,(H2,12,13,15)/b14-8+

InChIKeyKPWXPUNEWUYEOI-RIYZIHGNSA-N

MW221.26 g/mol

LogP2.03

Rot. Bonds3

About 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea

1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea (PubChem CID 13119872) has the molecular formula C₁₁H₁₅N₃O₂ and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea.

Molecular Properties

Compound Name	1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
PubChem CID	13119872
Molecular Formula	C₁₁H₁₅N₃O₂
Molecular Weight	221.26 g/mol
Exact Mass	221.12
IUPAC Name	1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
SMILES	CCNC(=O)Nc1cccc(/C(C)=N/O)c1
InChI	InChI=1S/C11H15N3O2/c1-3-12-11(15)13-10-6-4-5-9(7-10)8(2)14-16/h4-7,16H,3H2,1-2H3,(H2,12,13,15)/b14-8+
InChIKey	KPWXPUNEWUYEOI-RIYZIHGNSA-N
XLogP	2.03
TPSA	73.72 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.26
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?

The IUPAC name of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea (CID 13119872) is 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea.

What is the SMILES notation for 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?

The canonical SMILES for 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea is CCNC(=O)Nc1cccc(/C(C)=N/O)c1.

What is the InChIKey of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?

The InChIKey is KPWXPUNEWUYEOI-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-12-11(15)13-10-6-4-5-9(7-10)8(2)14-16/h4-7,16H,3H2,1-2H3,(H2,12,13,15)/b14-8+.

What are the key properties of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?

1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea has a molecular weight of 221.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea is sourced from PubChem (CID 13119872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 13119872 — identifiers, structure, computed properties (public domain)

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