ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate

C11H18N2O2 — CID 178172563

IUPACethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCC1=NCCC=C1
InChIInChI=1S/C11H18N2O2/c1-3-15-11(14)13(2)9-7-10-6-4-5-8-12-10/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKFBSISAXFMQXNB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.87
Rot. Bonds4

About ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate

ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate (PubChem CID 178172563) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate
PubChem CID178172563
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCC1=NCCC=C1
InChIInChI=1S/C11H18N2O2/c1-3-15-11(14)13(2)9-7-10-6-4-5-8-12-10/h4,6H,3,5,7-9H2,1-2H3
InChIKeyKFBSISAXFMQXNB-UHFFFAOYSA-N
XLogP1.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate (CID 178172563) is ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate is CCOC(=O)N(C)CCC1=NCCC=C1.
What is the InChIKey of ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate?
The InChIKey is KFBSISAXFMQXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-15-11(14)13(2)9-7-10-6-4-5-8-12-10/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate?
ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate has a molecular weight of 210.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 178172563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).