2-ethoxy-3-ethyl-4-methyl-1H-pyrrole

C9H15NO — CID 130005479

IUPAC2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
SMILESCCOc1[nH]cc(C)c1CC
InChIInChI=1S/C9H15NO/c1-4-8-7(3)6-10-9(8)11-5-2/h6,10H,4-5H2,1-3H3
InChIKeyAWSRTVGGWCNTCP-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.28
Rot. Bonds3

About 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole

2-ethoxy-3-ethyl-4-methyl-1H-pyrrole (PubChem CID 130005479) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
PubChem CID130005479
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
SMILESCCOc1[nH]cc(C)c1CC
InChIInChI=1S/C9H15NO/c1-4-8-7(3)6-10-9(8)11-5-2/h6,10H,4-5H2,1-3H3
InChIKeyAWSRTVGGWCNTCP-UHFFFAOYSA-N
XLogP2.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-methyl-1H-pyrrol-2-ol
CID 45092467
2-ethoxy-3-ethyl-1,4-dimethylbenzene
CID 145358805
2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole
CID 11140903
methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate
CID 10613358
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[2-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]ethyl]-3,5-dimethylpyrrole
CID 177388577
5-ethoxy-3-methyl-1H-indole
CID 82490542
ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
CID 54026000
3-ethyl-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 20701505
3-(bromomethyl)-2,4-dimethyl-1H-pyrrole
CID 119093345
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
CID 25199407
ruthenium;2,3,4-triethyl-1H-pyrrole
CID 174581947
ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 171658230

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole?
The IUPAC name of 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole (CID 130005479) is 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole.
What is the SMILES notation for 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole?
The canonical SMILES for 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole is CCOc1[nH]cc(C)c1CC.
What is the InChIKey of 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole?
The InChIKey is AWSRTVGGWCNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8-7(3)6-10-9(8)11-5-2/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole?
2-ethoxy-3-ethyl-4-methyl-1H-pyrrole has a molecular weight of 153.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-4-methyl-1H-pyrrole is sourced from PubChem (CID 130005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).