ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate

C9H15N3O2 — CID 52992830

IUPACethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
SMILESCCOC(=O)NCCn1ccnc1C
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)11-5-7-12-6-4-10-8(12)2/h4,6H,3,5,7H2,1-2H3,(H,11,13)
InChIKeySKEUQRXIPJNUQX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.94
Rot. Bonds4

About ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate

ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate (PubChem CID 52992830) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
PubChem CID52992830
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
SMILESCCOC(=O)NCCn1ccnc1C
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)11-5-7-12-6-4-10-8(12)2/h4,6H,3,5,7H2,1-2H3,(H,11,13)
InChIKeySKEUQRXIPJNUQX-UHFFFAOYSA-N
XLogP0.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1H-imidazole-1-carboxylate
CID 87963
methyl N-(4-imidazol-1-ylbut-2-ynyl)-N-methylcarbamate
CID 15065563
Isopropyl 1H-imidazole-1-carboxylate
CID 537559
ethyl N-(4-imidazol-1-ylbut-2-ynyl)-N-methylcarbamate
CID 15065567
ethyl N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylcarbamate
CID 15065569
(1,3-dimethylimidazol-1-ium-2-yl)methyl N-methylcarbamate iodide
CID 15945653
2-(1,3-dimethyl-1H-imidazol-3-ium-2-yl)ethyl methylcarbamate
CID 15945729
tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate
CID 545436
2-(1-methyl-1H-imidazol-2-yl)ethyl methylcarbamate
CID 852443
2-propylpentyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127043142
2,4,4-trimethylpentyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127043651
2,2-dimethylpropyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127044791

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate (CID 52992830) is ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate is CCOC(=O)NCCn1ccnc1C.
What is the InChIKey of ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
The InChIKey is SKEUQRXIPJNUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-9(13)11-5-7-12-6-4-10-8(12)2/h4,6H,3,5,7H2,1-2H3,(H,11,13).
What are the key properties of ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate has a molecular weight of 197.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 52992830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).