methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate

C11H12N2O2 — CID 90111724

IUPACmethyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
SMILESCOC(=O)NCc1cc(C#N)ccc1C
InChIInChI=1S/C11H12N2O2/c1-8-3-4-9(6-12)5-10(8)7-13-11(14)15-2/h3-5H,7H2,1-2H3,(H,13,14)
InChIKeyGJNYFRGIZBBKFC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.72
Rot. Bonds2

About methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate

methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate (PubChem CID 90111724) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
PubChem CID90111724
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
SMILESCOC(=O)NCc1cc(C#N)ccc1C
InChIInChI=1S/C11H12N2O2/c1-8-3-4-9(6-12)5-10(8)7-13-11(14)15-2/h3-5H,7H2,1-2H3,(H,13,14)
InChIKeyGJNYFRGIZBBKFC-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
methyl N-(4-cyano-2-ethylphenyl)carbamate
CID 154930446
tert-butyl N-[[4-cyano-2-(trifluoromethoxy)phenyl]methyl]carbamate
CID 68755510
methyl N-[[5-[3-(dimethylamino)prop-2-enoyl]-2-methylphenyl]methyl]carbamate
CID 123663859
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[(5-bromo-2-methylphenyl)methyl]-4-cyanopyridine-2-carboxamide
CID 115116857
tert-butyl N-[(4-ethynyl-2-methylphenyl)methyl]carbamate
CID 166459968
methyl N-[[2-chloro-5-(3-chloro-3-methylbut-1-ynyl)phenyl]methyl]carbamate
CID 15483921
3-(2-bromo-4,4-dimethyl-3-oxopentyl)-4-methylbenzonitrile
CID 55071926
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
tert-butyl N-[3-(4-cyano-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832172
tert-butyl N-[2-(4-cyano-2-fluorophenyl)ethyl]carbamate
CID 141083538

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate (CID 90111724) is methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate is COC(=O)NCc1cc(C#N)ccc1C.
What is the InChIKey of methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate?
The InChIKey is GJNYFRGIZBBKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-4-9(6-12)5-10(8)7-13-11(14)15-2/h3-5H,7H2,1-2H3,(H,13,14).
What are the key properties of methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate?
methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 90111724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).