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

C11H17NO2 — CID 139683812

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate
SMILESCCNC(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C11H17NO2/c1-4-12-10(13)14-11(3)8-6-5-7-9(11)2/h5-9H,4H2,1-3H3,(H,12,13)
InChIKeyYMUPSRSQEJDYGM-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.25
Rot. Bonds2

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

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate (PubChem CID 139683812) 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-ethylcarbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate
PubChem CID139683812
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate
SMILESCCNC(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C11H17NO2/c1-4-12-10(13)14-11(3)8-6-5-7-9(11)2/h5-9H,4H2,1-3H3,(H,12,13)
InChIKeyYMUPSRSQEJDYGM-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-ethylcarbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate (CID 139683812) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate is CCNC(=O)OC1(C)C=CC=CC1C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate?
The InChIKey is YMUPSRSQEJDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-12-10(13)14-11(3)8-6-5-7-9(11)2/h5-9H,4H2,1-3H3,(H,12,13).
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 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-ethylcarbamate is sourced from PubChem (CID 139683812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).