(2,5-dimethoxyphenyl)cyanamide

C9H10N2O2 — CID 54806316

IUPAC(2,5-dimethoxyphenyl)cyanamide
SMILESCOc1ccc(OC)c(NC#N)c1
InChIInChI=1S/C9H10N2O2/c1-12-7-3-4-9(13-2)8(5-7)11-6-10/h3-5,11H,1-2H3
InChIKeyKMOMLDBVKXWRPA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.60
Rot. Bonds3

About (2,5-dimethoxyphenyl)cyanamide

(2,5-dimethoxyphenyl)cyanamide (PubChem CID 54806316) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)cyanamide.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)cyanamide
PubChem CID54806316
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(2,5-dimethoxyphenyl)cyanamide
SMILESCOc1ccc(OC)c(NC#N)c1
InChIInChI=1S/C9H10N2O2/c1-12-7-3-4-9(13-2)8(5-7)11-6-10/h3-5,11H,1-2H3
InChIKeyKMOMLDBVKXWRPA-UHFFFAOYSA-N
XLogP1.60
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(2,5-dimethoxyanilino)pentanenitrile
CID 60680727
N'-(2-amino-1,2-dicyanoethenyl)-N-(2,5-dimethoxyphenyl)methanimidamide
CID 3450699
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
(4-fluoro-2-methoxyphenyl)cyanamide
CID 62482272
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
CID 22106606
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)cyanamide?
The IUPAC name of (2,5-dimethoxyphenyl)cyanamide (CID 54806316) is (2,5-dimethoxyphenyl)cyanamide.
What is the SMILES notation for (2,5-dimethoxyphenyl)cyanamide?
The canonical SMILES for (2,5-dimethoxyphenyl)cyanamide is COc1ccc(OC)c(NC#N)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)cyanamide?
The InChIKey is KMOMLDBVKXWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-7-3-4-9(13-2)8(5-7)11-6-10/h3-5,11H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)cyanamide?
(2,5-dimethoxyphenyl)cyanamide has a molecular weight of 178.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)cyanamide is sourced from PubChem (CID 54806316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).