methyl N-(3-methylphenyl)carbamate

C9H11NO2 — CID 596693

IUPACmethyl N-(3-methylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(C)c1
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyYYKXNDIQHDVJKF-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.17
Rot. Bonds1

About methyl N-(3-methylphenyl)carbamate

methyl N-(3-methylphenyl)carbamate (PubChem CID 596693) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-methylphenyl)carbamate
PubChem CID596693
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl N-(3-methylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(C)c1
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyYYKXNDIQHDVJKF-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-methylphenyl)carbamate?
The IUPAC name of methyl N-(3-methylphenyl)carbamate (CID 596693) is methyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-methylphenyl)carbamate?
The canonical SMILES for methyl N-(3-methylphenyl)carbamate is COC(=O)Nc1cccc(C)c1.
What is the InChIKey of methyl N-(3-methylphenyl)carbamate?
The InChIKey is YYKXNDIQHDVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of methyl N-(3-methylphenyl)carbamate?
methyl N-(3-methylphenyl)carbamate has a molecular weight of 165.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 596693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).