methyl N-(3-cyanato-4-methylphenyl)carbamate

C10H10N2O3 — CID 142273623

IUPACmethyl N-(3-cyanato-4-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(C)c(OC#N)c1
InChIInChI=1S/C10H10N2O3/c1-7-3-4-8(12-10(13)14-2)5-9(7)15-6-11/h3-5H,1-2H3,(H,12,13)
InChIKeyIMUHYBMSFKZIQW-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.03
Rot. Bonds2

About methyl N-(3-cyanato-4-methylphenyl)carbamate

methyl N-(3-cyanato-4-methylphenyl)carbamate (PubChem CID 142273623) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl N-(3-cyanato-4-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-cyanato-4-methylphenyl)carbamate
PubChem CID142273623
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl N-(3-cyanato-4-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(C)c(OC#N)c1
InChIInChI=1S/C10H10N2O3/c1-7-3-4-8(12-10(13)14-2)5-9(7)15-6-11/h3-5H,1-2H3,(H,12,13)
InChIKeyIMUHYBMSFKZIQW-UHFFFAOYSA-N
XLogP2.03
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
N-(3-cyano-4-methylphenyl)acetamide
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methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
CID 101217153
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
CID 117059873
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
methyl N-(2-cyano-1,3-benzothiazol-6-yl)carbamate
CID 58427735
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-cyanato-4-methylphenyl)carbamate?
The IUPAC name of methyl N-(3-cyanato-4-methylphenyl)carbamate (CID 142273623) is methyl N-(3-cyanato-4-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-cyanato-4-methylphenyl)carbamate?
The canonical SMILES for methyl N-(3-cyanato-4-methylphenyl)carbamate is COC(=O)Nc1ccc(C)c(OC#N)c1.
What is the InChIKey of methyl N-(3-cyanato-4-methylphenyl)carbamate?
The InChIKey is IMUHYBMSFKZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-3-4-8(12-10(13)14-2)5-9(7)15-6-11/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl N-(3-cyanato-4-methylphenyl)carbamate?
methyl N-(3-cyanato-4-methylphenyl)carbamate has a molecular weight of 206.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-cyanato-4-methylphenyl)carbamate is sourced from PubChem (CID 142273623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).