ethyl imidazol-1-yl carbonate

C6H8N2O3 — CID 174735954

IUPACethyl imidazol-1-yl carbonate
SMILESCCOC(=O)On1ccnc1
InChIInChI=1S/C6H8N2O3/c1-2-10-6(9)11-8-4-3-7-5-8/h3-5H,2H2,1H3
InChIKeyRFUPWBPOHFLSPI-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.47
Rot. Bonds2

About ethyl imidazol-1-yl carbonate

ethyl imidazol-1-yl carbonate (PubChem CID 174735954) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is ethyl imidazol-1-yl carbonate.

Molecular Properties

Compound Nameethyl imidazol-1-yl carbonate
PubChem CID174735954
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Nameethyl imidazol-1-yl carbonate
SMILESCCOC(=O)On1ccnc1
InChIInChI=1S/C6H8N2O3/c1-2-10-6(9)11-8-4-3-7-5-8/h3-5H,2H2,1H3
InChIKeyRFUPWBPOHFLSPI-UHFFFAOYSA-N
XLogP0.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl pyrrol-1-yl carbonate
CID 141367308
imidazol-1-yl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 56949259
imidazol-1-yl 2-piperidin-1-ylethyl carbonate
CID 174985112
imidazol-1-yl 2-butylhexanoate
CID 174655317
imidazol-1-yl tetradecanoate
CID 175546759
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl heptanoate
CID 175410491
(2S)-2-imidazol-1-yloxycarbonyl-3-methylbutanoic acid
CID 67801595
diethyl 2-imidazol-1-ylpropanedioate
CID 12742662
imidazol-1-yl but-3-enoate
CID 174567712
imidazol-1-yloxymethanol
CID 155678354
ethyl 2-fluoro-2-imidazol-1-ylacetate
CID 79885931

Frequently Asked Questions

What is the IUPAC name of ethyl imidazol-1-yl carbonate?
The IUPAC name of ethyl imidazol-1-yl carbonate (CID 174735954) is ethyl imidazol-1-yl carbonate.
What is the SMILES notation for ethyl imidazol-1-yl carbonate?
The canonical SMILES for ethyl imidazol-1-yl carbonate is CCOC(=O)On1ccnc1.
What is the InChIKey of ethyl imidazol-1-yl carbonate?
The InChIKey is RFUPWBPOHFLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-10-6(9)11-8-4-3-7-5-8/h3-5H,2H2,1H3.
What are the key properties of ethyl imidazol-1-yl carbonate?
ethyl imidazol-1-yl carbonate has a molecular weight of 156.14 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl imidazol-1-yl carbonate is sourced from PubChem (CID 174735954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).