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

C10H10N2O2 — CID 62065723

IUPACmethyl N-(5-cyano-2-methylphenyl)carbamate
SMILESCOC(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C10H10N2O2/c1-7-3-4-8(6-11)5-9(7)12-10(13)14-2/h3-5H,1-2H3,(H,12,13)
InChIKeyNQWMQPKVYVKKDB-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.05
Rot. Bonds1

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

methyl N-(5-cyano-2-methylphenyl)carbamate (PubChem CID 62065723) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl N-(5-cyano-2-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-cyano-2-methylphenyl)carbamate
PubChem CID62065723
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl N-(5-cyano-2-methylphenyl)carbamate
SMILESCOC(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C10H10N2O2/c1-7-3-4-8(6-11)5-9(7)12-10(13)14-2/h3-5H,1-2H3,(H,12,13)
InChIKeyNQWMQPKVYVKKDB-UHFFFAOYSA-N
XLogP2.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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CID 94826096
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
CID 90111724
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
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CID 82797664

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-cyano-2-methylphenyl)carbamate?
The IUPAC name of methyl N-(5-cyano-2-methylphenyl)carbamate (CID 62065723) is methyl N-(5-cyano-2-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(5-cyano-2-methylphenyl)carbamate?
The canonical SMILES for methyl N-(5-cyano-2-methylphenyl)carbamate is COC(=O)Nc1cc(C#N)ccc1C.
What is the InChIKey of methyl N-(5-cyano-2-methylphenyl)carbamate?
The InChIKey is NQWMQPKVYVKKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-3-4-8(6-11)5-9(7)12-10(13)14-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl N-(5-cyano-2-methylphenyl)carbamate?
methyl N-(5-cyano-2-methylphenyl)carbamate has a molecular weight of 190.20 g/mol, XLogP of 2.05, 1 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)carbamate is sourced from PubChem (CID 62065723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).