4-butyl-2,5-dimethyl-3H-pyrrole

C10H17N — CID 145357849

IUPAC4-butyl-2,5-dimethyl-3H-pyrrole
SMILESCCCCC1=C(C)N=C(C)C1
InChIInChI=1S/C10H17N/c1-4-5-6-10-7-8(2)11-9(10)3/h4-7H2,1-3H3
InChIKeyIQMWYTGSPZQOGE-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.32
Rot. Bonds3

About 4-butyl-2,5-dimethyl-3H-pyrrole

4-butyl-2,5-dimethyl-3H-pyrrole (PubChem CID 145357849) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-butyl-2,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name4-butyl-2,5-dimethyl-3H-pyrrole
PubChem CID145357849
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-butyl-2,5-dimethyl-3H-pyrrole
SMILESCCCCC1=C(C)N=C(C)C1
InChIInChI=1S/C10H17N/c1-4-5-6-10-7-8(2)11-9(10)3/h4-7H2,1-3H3
InChIKeyIQMWYTGSPZQOGE-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-trimethyl-3H-pyrrole
CID 9793719
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
CID 23542589
2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 23558734
2-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 23558745
2,3,4-Triethylazete
CID 57185997
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
5-butyl-2,4-dimethyl-3H-pyrrole
CID 58851256
carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
CID 59085074

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-dimethyl-3H-pyrrole?
The IUPAC name of 4-butyl-2,5-dimethyl-3H-pyrrole (CID 145357849) is 4-butyl-2,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 4-butyl-2,5-dimethyl-3H-pyrrole?
The canonical SMILES for 4-butyl-2,5-dimethyl-3H-pyrrole is CCCCC1=C(C)N=C(C)C1.
What is the InChIKey of 4-butyl-2,5-dimethyl-3H-pyrrole?
The InChIKey is IQMWYTGSPZQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-6-10-7-8(2)11-9(10)3/h4-7H2,1-3H3.
What are the key properties of 4-butyl-2,5-dimethyl-3H-pyrrole?
4-butyl-2,5-dimethyl-3H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 145357849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).