2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole

C10H16INO — CID 11140903

IUPAC2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole
SMILESCCOc1[nH]c(I)c(CC)c1CC
InChIInChI=1S/C10H16INO/c1-4-7-8(5-2)10(13-6-3)12-9(7)11/h12H,4-6H2,1-3H3
InChIKeyCKYYINFXEVCEOJ-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.14
Rot. Bonds4

About 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole

2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole (PubChem CID 11140903) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole.

Molecular Properties

Compound Name2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole
PubChem CID11140903
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole
SMILESCCOc1[nH]c(I)c(CC)c1CC
InChIInChI=1S/C10H16INO/c1-4-7-8(5-2)10(13-6-3)12-9(7)11/h12H,4-6H2,1-3H3
InChIKeyCKYYINFXEVCEOJ-UHFFFAOYSA-N
XLogP3.14
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
CID 130005479
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
CID 25199407
2-ethoxy-3-ethyl-1,4-dimethylbenzene
CID 145358805
2-chloro-5-ethoxy-4-methoxy-1H-imidazole
CID 148549788
3-ethoxy-4,5-diethylbenzene-1,2-diol
CID 154435107
6-ethoxy-5-fluoro-1H-pyrimidin-2-one
CID 165357975
2,4-diethoxy-6-iodo-1,3,5-triazine
CID 142634981
3,5-diethoxy-4-methyl-1H-pyrazole
CID 68981384
5-ethoxy-2-ethyl-1H-imidazole
CID 22909640
1,2,3,4,5,6,7,8-octaethyl-9H-carbazole
CID 90320915
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
2-ethoxy-1,3-diiodobenzene
CID 165359155

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole?
The IUPAC name of 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole (CID 11140903) is 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole.
What is the SMILES notation for 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole?
The canonical SMILES for 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole is CCOc1[nH]c(I)c(CC)c1CC.
What is the InChIKey of 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole?
The InChIKey is CKYYINFXEVCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c1-4-7-8(5-2)10(13-6-3)12-9(7)11/h12H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole?
2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole has a molecular weight of 293.15 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole is sourced from PubChem (CID 11140903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).