1-butyl-3-propan-2-ylpyrrole

C11H19N — CID 13270985

IUPAC1-butyl-3-propan-2-ylpyrrole
SMILESCCCCn1ccc(C(C)C)c1
InChIInChI=1S/C11H19N/c1-4-5-7-12-8-6-11(9-12)10(2)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNQXWESYDZKGWLJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.41
Rot. Bonds4

About 1-butyl-3-propan-2-ylpyrrole

1-butyl-3-propan-2-ylpyrrole (PubChem CID 13270985) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-butyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-butyl-3-propan-2-ylpyrrole
PubChem CID13270985
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-butyl-3-propan-2-ylpyrrole
SMILESCCCCn1ccc(C(C)C)c1
InChIInChI=1S/C11H19N/c1-4-5-7-12-8-6-11(9-12)10(2)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNQXWESYDZKGWLJ-UHFFFAOYSA-N
XLogP3.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-propan-2-ylpyrrole?
The IUPAC name of 1-butyl-3-propan-2-ylpyrrole (CID 13270985) is 1-butyl-3-propan-2-ylpyrrole.
What is the SMILES notation for 1-butyl-3-propan-2-ylpyrrole?
The canonical SMILES for 1-butyl-3-propan-2-ylpyrrole is CCCCn1ccc(C(C)C)c1.
What is the InChIKey of 1-butyl-3-propan-2-ylpyrrole?
The InChIKey is NQXWESYDZKGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-7-12-8-6-11(9-12)10(2)3/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 1-butyl-3-propan-2-ylpyrrole?
1-butyl-3-propan-2-ylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 13270985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).