ethyl 3-nitroso-1H-pyrrole-2-carboxylate

C7H8N2O3 — CID 148773975

IUPACethyl 3-nitroso-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1N=O
InChIInChI=1S/C7H8N2O3/c1-2-12-7(10)6-5(9-11)3-4-8-6/h3-4,8H,2H2,1H3
InChIKeyOIYXDIMHEAWFPZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.59
Rot. Bonds3

About ethyl 3-nitroso-1H-pyrrole-2-carboxylate

ethyl 3-nitroso-1H-pyrrole-2-carboxylate (PubChem CID 148773975) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is ethyl 3-nitroso-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-nitroso-1H-pyrrole-2-carboxylate
PubChem CID148773975
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Nameethyl 3-nitroso-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]ccc1N=O
InChIInChI=1S/C7H8N2O3/c1-2-12-7(10)6-5(9-11)3-4-8-6/h3-4,8H,2H2,1H3
InChIKeyOIYXDIMHEAWFPZ-UHFFFAOYSA-N
XLogP1.59
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(carbamoylamino)-1H-pyrrole-2-carboxylate
CID 55266586
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
ethyl 3-cyano-4-oxo-1H-pyridine-2-carboxylate
CID 131027939
ethyl 3-(3,4-dimethylphenyl)-1H-pyrrole-2-carboxylate
CID 79324734
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
ethyl 4-sulfanylidene-1H-pyridine-2-carboxylate
CID 119084000
ethyl 3-[(2-methoxy-2-methylpropyl)amino]-1H-pyrrole-2-carboxylate
CID 67068506
ethyl 3-(3-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 79324807
ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate
CID 67052946
ethyl 3-(3-methylimidazol-4-yl)-1H-pyrrole-2-carboxylate
CID 79324733
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethyl 3,4-dichloro-1H-pyrrole-2-carboxylate
CID 130007030

Frequently Asked Questions

What is the IUPAC name of ethyl 3-nitroso-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-nitroso-1H-pyrrole-2-carboxylate (CID 148773975) is ethyl 3-nitroso-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-nitroso-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-nitroso-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]ccc1N=O.
What is the InChIKey of ethyl 3-nitroso-1H-pyrrole-2-carboxylate?
The InChIKey is OIYXDIMHEAWFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-12-7(10)6-5(9-11)3-4-8-6/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 3-nitroso-1H-pyrrole-2-carboxylate?
ethyl 3-nitroso-1H-pyrrole-2-carboxylate has a molecular weight of 168.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-nitroso-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 148773975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).