1-butyl-3-ethyl-4-propylpyrrole

C13H23N — CID 10583941

IUPAC1-butyl-3-ethyl-4-propylpyrrole
SMILESCCCCn1cc(CC)c(CCC)c1
InChIInChI=1S/C13H23N/c1-4-7-9-14-10-12(6-3)13(11-14)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyMROACBZGMJGSPW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.80
Rot. Bonds6

About 1-butyl-3-ethyl-4-propylpyrrole

1-butyl-3-ethyl-4-propylpyrrole (PubChem CID 10583941) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-butyl-3-ethyl-4-propylpyrrole.

Molecular Properties

Compound Name1-butyl-3-ethyl-4-propylpyrrole
PubChem CID10583941
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-butyl-3-ethyl-4-propylpyrrole
SMILESCCCCn1cc(CC)c(CCC)c1
InChIInChI=1S/C13H23N/c1-4-7-9-14-10-12(6-3)13(11-14)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyMROACBZGMJGSPW-UHFFFAOYSA-N
XLogP3.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-4-propylpyrrole?
The IUPAC name of 1-butyl-3-ethyl-4-propylpyrrole (CID 10583941) is 1-butyl-3-ethyl-4-propylpyrrole.
What is the SMILES notation for 1-butyl-3-ethyl-4-propylpyrrole?
The canonical SMILES for 1-butyl-3-ethyl-4-propylpyrrole is CCCCn1cc(CC)c(CCC)c1.
What is the InChIKey of 1-butyl-3-ethyl-4-propylpyrrole?
The InChIKey is MROACBZGMJGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-7-9-14-10-12(6-3)13(11-14)8-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-butyl-3-ethyl-4-propylpyrrole?
1-butyl-3-ethyl-4-propylpyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-4-propylpyrrole is sourced from PubChem (CID 10583941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).