ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate

C11H17NO2 — CID 166852994

IUPACethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CC1C=CC=CC1
InChIInChI=1S/C11H17NO2/c1-3-14-11(13)12(2)9-10-7-5-4-6-8-10/h4-7,10H,3,8-9H2,1-2H3
InChIKeyZVEHSZQXESGZJL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.21
Rot. Bonds3

About ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate

ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate (PubChem CID 166852994) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate
PubChem CID166852994
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CC1C=CC=CC1
InChIInChI=1S/C11H17NO2/c1-3-14-11(13)12(2)9-10-7-5-4-6-8-10/h4-7,10H,3,8-9H2,1-2H3
InChIKeyZVEHSZQXESGZJL-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate (CID 166852994) is ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate is CCOC(=O)N(C)CC1C=CC=CC1.
What is the InChIKey of ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate?
The InChIKey is ZVEHSZQXESGZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-14-11(13)12(2)9-10-7-5-4-6-8-10/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate?
ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 166852994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).