ethane;1-ethyl-2,3,5-trimethylpyrrole

C13H27N — CID 162748917

IUPACethane;1-ethyl-2,3,5-trimethylpyrrole
SMILESCC.CC.CCn1c(C)cc(C)c1C
InChIInChI=1S/C9H15N.2C2H6/c1-5-10-8(3)6-7(2)9(10)4;2*1-2/h6H,5H2,1-4H3;2*1-2H3
InChIKeyYVTHJTOQBSPXGO-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.49
Rot. Bonds1

About ethane;1-ethyl-2,3,5-trimethylpyrrole

ethane;1-ethyl-2,3,5-trimethylpyrrole (PubChem CID 162748917) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;1-ethyl-2,3,5-trimethylpyrrole.

Molecular Properties

Compound Nameethane;1-ethyl-2,3,5-trimethylpyrrole
PubChem CID162748917
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;1-ethyl-2,3,5-trimethylpyrrole
SMILESCC.CC.CCn1c(C)cc(C)c1C
InChIInChI=1S/C9H15N.2C2H6/c1-5-10-8(3)6-7(2)9(10)4;2*1-2/h6H,5H2,1-4H3;2*1-2H3
InChIKeyYVTHJTOQBSPXGO-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2,3,5-trimethylpyrrole?
The IUPAC name of ethane;1-ethyl-2,3,5-trimethylpyrrole (CID 162748917) is ethane;1-ethyl-2,3,5-trimethylpyrrole.
What is the SMILES notation for ethane;1-ethyl-2,3,5-trimethylpyrrole?
The canonical SMILES for ethane;1-ethyl-2,3,5-trimethylpyrrole is CC.CC.CCn1c(C)cc(C)c1C.
What is the InChIKey of ethane;1-ethyl-2,3,5-trimethylpyrrole?
The InChIKey is YVTHJTOQBSPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.2C2H6/c1-5-10-8(3)6-7(2)9(10)4;2*1-2/h6H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2,3,5-trimethylpyrrole?
ethane;1-ethyl-2,3,5-trimethylpyrrole has a molecular weight of 197.37 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2,3,5-trimethylpyrrole is sourced from PubChem (CID 162748917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).