(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate

C11H17NO2 — CID 141299160

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate
SMILESCC1C=CC=CC1(C)OC(=O)N(C)C
InChIInChI=1S/C11H17NO2/c1-9-7-5-6-8-11(9,2)14-10(13)12(3)4/h5-9H,1-4H3
InChIKeyAIIOEYIXCMERJJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.21
Rot. Bonds1

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate (PubChem CID 141299160) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate
PubChem CID141299160
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate
SMILESCC1C=CC=CC1(C)OC(=O)N(C)C
InChIInChI=1S/C11H17NO2/c1-9-7-5-6-8-11(9,2)14-10(13)12(3)4/h5-9H,1-4H3
InChIKeyAIIOEYIXCMERJJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate (CID 141299160) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate is CC1C=CC=CC1(C)OC(=O)N(C)C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate?
The InChIKey is AIIOEYIXCMERJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-7-5-6-8-11(9,2)14-10(13)12(3)4/h5-9H,1-4H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 141299160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).