2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate

C8H13N3O2 — CID 852443

IUPAC2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1nccn1C
InChIInChI=1S/C8H13N3O2/c1-9-8(12)13-6-3-7-10-4-5-11(7)2/h4-5H,3,6H2,1-2H3,(H,9,12)
InChIKeyQMTDLLHNYSWGPX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.32
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate

2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate (PubChem CID 852443) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate
PubChem CID852443
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1nccn1C
InChIInChI=1S/C8H13N3O2/c1-9-8(12)13-6-3-7-10-4-5-11(7)2/h4-5H,3,6H2,1-2H3,(H,9,12)
InChIKeyQMTDLLHNYSWGPX-UHFFFAOYSA-N
XLogP0.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate (CID 852443) is 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate is CNC(=O)OCCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate?
The InChIKey is QMTDLLHNYSWGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-8(12)13-6-3-7-10-4-5-11(7)2/h4-5H,3,6H2,1-2H3,(H,9,12).
What are the key properties of 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate?
2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate has a molecular weight of 183.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethyl N-methylcarbamate is sourced from PubChem (CID 852443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).