ethyl pyrrol-1-yl carbonate

C7H9NO3 — CID 141367308

IUPACethyl pyrrol-1-yl carbonate
SMILESCCOC(=O)On1cccc1
InChIInChI=1S/C7H9NO3/c1-2-10-7(9)11-8-5-3-4-6-8/h3-6H,2H2,1H3
InChIKeyJPRQBPPZSCJYTF-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.07
Rot. Bonds2

About ethyl pyrrol-1-yl carbonate

ethyl pyrrol-1-yl carbonate (PubChem CID 141367308) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl pyrrol-1-yl carbonate.

Molecular Properties

Compound Nameethyl pyrrol-1-yl carbonate
PubChem CID141367308
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl pyrrol-1-yl carbonate
SMILESCCOC(=O)On1cccc1
InChIInChI=1S/C7H9NO3/c1-2-10-7(9)11-8-5-3-4-6-8/h3-6H,2H2,1H3
InChIKeyJPRQBPPZSCJYTF-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl imidazol-1-yl carbonate
CID 174735954
CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
pyrrol-1-yl N-methylcarbamate
CID 175542135
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl sulfino carbonate
CID 57236503
ethyl methylsilyl carbonate
CID 123238545
ethyl fluoro carbonate
CID 18542699
ethyl (2S)-3-methyl-2-pyrrol-1-ylpentanoate
CID 17389832

Frequently Asked Questions

What is the IUPAC name of ethyl pyrrol-1-yl carbonate?
The IUPAC name of ethyl pyrrol-1-yl carbonate (CID 141367308) is ethyl pyrrol-1-yl carbonate.
What is the SMILES notation for ethyl pyrrol-1-yl carbonate?
The canonical SMILES for ethyl pyrrol-1-yl carbonate is CCOC(=O)On1cccc1.
What is the InChIKey of ethyl pyrrol-1-yl carbonate?
The InChIKey is JPRQBPPZSCJYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-10-7(9)11-8-5-3-4-6-8/h3-6H,2H2,1H3.
What are the key properties of ethyl pyrrol-1-yl carbonate?
ethyl pyrrol-1-yl carbonate has a molecular weight of 155.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrrol-1-yl carbonate is sourced from PubChem (CID 141367308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).