(3-methylphenyl) N-methylcarbamate

C9H11NO2 — CID 14322

IUPAC(3-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc(C)c1
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKeyVOEYXMAFNDNNED-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.71
Rot. Bonds1

About (3-methylphenyl) N-methylcarbamate

(3-methylphenyl) N-methylcarbamate (PubChem CID 14322) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3-methylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-methylcarbamate
PubChem CID14322
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccc(C)c1
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKeyVOEYXMAFNDNNED-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-methylcarbamate?
The IUPAC name of (3-methylphenyl) N-methylcarbamate (CID 14322) is (3-methylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-methylphenyl) N-methylcarbamate?
The canonical SMILES for (3-methylphenyl) N-methylcarbamate is CNC(=O)Oc1cccc(C)c1.
What is the InChIKey of (3-methylphenyl) N-methylcarbamate?
The InChIKey is VOEYXMAFNDNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of (3-methylphenyl) N-methylcarbamate?
(3-methylphenyl) N-methylcarbamate has a molecular weight of 165.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-methylcarbamate is sourced from PubChem (CID 14322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).