(2,6-dimethylphenyl) N-(cyanomethyl)carbamate

C11H12N2O2 — CID 112709050

IUPAC(2,6-dimethylphenyl) N-(cyanomethyl)carbamate
SMILESCc1cccc(C)c1OC(=O)NCC#N
InChIInChI=1S/C11H12N2O2/c1-8-4-3-5-9(2)10(8)15-11(14)13-7-6-12/h3-5H,7H2,1-2H3,(H,13,14)
InChIKeyVHYCJWGOIXMAJA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.92
Rot. Bonds2

About (2,6-dimethylphenyl) N-(cyanomethyl)carbamate

(2,6-dimethylphenyl) N-(cyanomethyl)carbamate (PubChem CID 112709050) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2,6-dimethylphenyl) N-(cyanomethyl)carbamate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) N-(cyanomethyl)carbamate
PubChem CID112709050
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2,6-dimethylphenyl) N-(cyanomethyl)carbamate
SMILESCc1cccc(C)c1OC(=O)NCC#N
InChIInChI=1S/C11H12N2O2/c1-8-4-3-5-9(2)10(8)15-11(14)13-7-6-12/h3-5H,7H2,1-2H3,(H,13,14)
InChIKeyVHYCJWGOIXMAJA-UHFFFAOYSA-N
XLogP1.92
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83822836
(3-hydroxyphenyl) N-(cyanomethyl)carbamate
CID 112708821
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
(2-methylphenyl) N-(2-cyanoethyl)carbamate
CID 116819846
(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
4-(2,6-dimethylphenoxy)-3-oxobutanenitrile
CID 82076706
(2,3-dimethoxyphenyl) N-(2-cyanoethyl)carbamate
CID 116819885
(2,6-dimethylphenyl) 2-chloroacetate
CID 54160838
(2-amino-6-methylphenyl) N-butylcarbamate
CID 91044635
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
(2-cyano-6-methylphenyl) acetate
CID 91679427
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) N-(cyanomethyl)carbamate?
The IUPAC name of (2,6-dimethylphenyl) N-(cyanomethyl)carbamate (CID 112709050) is (2,6-dimethylphenyl) N-(cyanomethyl)carbamate.
What is the SMILES notation for (2,6-dimethylphenyl) N-(cyanomethyl)carbamate?
The canonical SMILES for (2,6-dimethylphenyl) N-(cyanomethyl)carbamate is Cc1cccc(C)c1OC(=O)NCC#N.
What is the InChIKey of (2,6-dimethylphenyl) N-(cyanomethyl)carbamate?
The InChIKey is VHYCJWGOIXMAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-4-3-5-9(2)10(8)15-11(14)13-7-6-12/h3-5H,7H2,1-2H3,(H,13,14).
What are the key properties of (2,6-dimethylphenyl) N-(cyanomethyl)carbamate?
(2,6-dimethylphenyl) N-(cyanomethyl)carbamate has a molecular weight of 204.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) N-(cyanomethyl)carbamate is sourced from PubChem (CID 112709050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).