2-ethyl-3-methyl-3-propylpyrrole

C10H17N — CID 90015987

IUPAC2-ethyl-3-methyl-3-propylpyrrole
SMILESCCCC1(C)C=CN=C1CC
InChIInChI=1S/C10H17N/c1-4-6-10(3)7-8-11-9(10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyAMHDRJBTPKGVBY-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds3

About 2-ethyl-3-methyl-3-propylpyrrole

2-ethyl-3-methyl-3-propylpyrrole (PubChem CID 90015987) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3-propylpyrrole.

Molecular Properties

Compound Name2-ethyl-3-methyl-3-propylpyrrole
PubChem CID90015987
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-ethyl-3-methyl-3-propylpyrrole
SMILESCCCC1(C)C=CN=C1CC
InChIInChI=1S/C10H17N/c1-4-6-10(3)7-8-11-9(10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyAMHDRJBTPKGVBY-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3-propylpyrrole?
The IUPAC name of 2-ethyl-3-methyl-3-propylpyrrole (CID 90015987) is 2-ethyl-3-methyl-3-propylpyrrole.
What is the SMILES notation for 2-ethyl-3-methyl-3-propylpyrrole?
The canonical SMILES for 2-ethyl-3-methyl-3-propylpyrrole is CCCC1(C)C=CN=C1CC.
What is the InChIKey of 2-ethyl-3-methyl-3-propylpyrrole?
The InChIKey is AMHDRJBTPKGVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-10(3)7-8-11-9(10)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-3-propylpyrrole?
2-ethyl-3-methyl-3-propylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3-propylpyrrole is sourced from PubChem (CID 90015987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).