Benzyl dimethylcarbamate

C10H13NO2 — CID 12963450

IUPACbenzyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1=CC=CC=C1
InChIInChI=1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyRSQKOKVVSFQCQZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.20
Rot. Bonds3

About Benzyl dimethylcarbamate

Benzyl dimethylcarbamate (PubChem CID 12963450) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is benzyl N,N-dimethylcarbamate.

Molecular Properties

Compound NameBenzyl dimethylcarbamate
PubChem CID12963450
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namebenzyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1=CC=CC=C1
InChIInChI=1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyRSQKOKVVSFQCQZ-UHFFFAOYSA-N
XLogP2.20
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Benzyl dimethylcarbamate?
The IUPAC name of Benzyl dimethylcarbamate (CID 12963450) is benzyl N,N-dimethylcarbamate.
What is the SMILES notation for Benzyl dimethylcarbamate?
The canonical SMILES for Benzyl dimethylcarbamate is CN(C)C(=O)OCC1=CC=CC=C1.
What is the InChIKey of Benzyl dimethylcarbamate?
The InChIKey is RSQKOKVVSFQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of Benzyl dimethylcarbamate?
Benzyl dimethylcarbamate has a molecular weight of 179.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Benzyl dimethylcarbamate is sourced from PubChem (CID 12963450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).