[3-(cyanomethoxy)phenyl]urea

C9H9N3O2 — CID 43369607

IUPAC[3-(cyanomethoxy)phenyl]urea
SMILESN#CCOc1cccc(NC(N)=O)c1
InChIInChI=1S/C9H9N3O2/c10-4-5-14-8-3-1-2-7(6-8)12-9(11)13/h1-3,6H,5H2,(H3,11,12,13)
InChIKeyAIXCLACKEDCCPR-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.08
Rot. Bonds3

About [3-(cyanomethoxy)phenyl]urea

[3-(cyanomethoxy)phenyl]urea (PubChem CID 43369607) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is [3-(cyanomethoxy)phenyl]urea.

Molecular Properties

Compound Name[3-(cyanomethoxy)phenyl]urea
PubChem CID43369607
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name[3-(cyanomethoxy)phenyl]urea
SMILESN#CCOc1cccc(NC(N)=O)c1
InChIInChI=1S/C9H9N3O2/c10-4-5-14-8-3-1-2-7(6-8)12-9(11)13/h1-3,6H,5H2,(H3,11,12,13)
InChIKeyAIXCLACKEDCCPR-UHFFFAOYSA-N
XLogP1.08
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
methyl 2-[3-(cyanomethoxy)anilino]propanoate
CID 66172112
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
3-amino-4-[3-(cyanomethoxy)anilino]-4-oxobutanoic acid
CID 64897249
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432

Frequently Asked Questions

What is the IUPAC name of [3-(cyanomethoxy)phenyl]urea?
The IUPAC name of [3-(cyanomethoxy)phenyl]urea (CID 43369607) is [3-(cyanomethoxy)phenyl]urea.
What is the SMILES notation for [3-(cyanomethoxy)phenyl]urea?
The canonical SMILES for [3-(cyanomethoxy)phenyl]urea is N#CCOc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-(cyanomethoxy)phenyl]urea?
The InChIKey is AIXCLACKEDCCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-5-14-8-3-1-2-7(6-8)12-9(11)13/h1-3,6H,5H2,(H3,11,12,13).
What are the key properties of [3-(cyanomethoxy)phenyl]urea?
[3-(cyanomethoxy)phenyl]urea has a molecular weight of 191.19 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyanomethoxy)phenyl]urea is sourced from PubChem (CID 43369607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).