1-cyano-3-(3-methoxyphenyl)urea

C9H9N3O2 — CID 22351200

IUPAC1-cyano-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC#N)c1
InChIInChI=1S/C9H9N3O2/c1-14-8-4-2-3-7(5-8)12-9(13)11-6-10/h2-5H,1H3,(H2,11,12,13)
InChIKeyNNPMRAJLBQAXDJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.30
Rot. Bonds2

About 1-cyano-3-(3-methoxyphenyl)urea

1-cyano-3-(3-methoxyphenyl)urea (PubChem CID 22351200) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-cyano-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyano-3-(3-methoxyphenyl)urea
PubChem CID22351200
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-cyano-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC#N)c1
InChIInChI=1S/C9H9N3O2/c1-14-8-4-2-3-7(5-8)12-9(13)11-6-10/h2-5H,1H3,(H2,11,12,13)
InChIKeyNNPMRAJLBQAXDJ-UHFFFAOYSA-N
XLogP1.30
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-cyano-3-(3-methoxyphenyl)urea (CID 22351200) is 1-cyano-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-cyano-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-cyano-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC#N)c1.
What is the InChIKey of 1-cyano-3-(3-methoxyphenyl)urea?
The InChIKey is NNPMRAJLBQAXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-8-4-2-3-7(5-8)12-9(13)11-6-10/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 1-cyano-3-(3-methoxyphenyl)urea?
1-cyano-3-(3-methoxyphenyl)urea has a molecular weight of 191.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 22351200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).