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

C10H17N — CID 58851256

IUPAC5-butyl-2,4-dimethyl-3H-pyrrole
SMILESCCCCC1=C(C)CC(C)=N1
InChIInChI=1S/C10H17N/c1-4-5-6-10-8(2)7-9(3)11-10/h4-7H2,1-3H3
InChIKeyNPNWKBRLCYQJEK-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.32
Rot. Bonds3

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

5-butyl-2,4-dimethyl-3H-pyrrole (PubChem CID 58851256) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-butyl-2,4-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name5-butyl-2,4-dimethyl-3H-pyrrole
PubChem CID58851256
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-butyl-2,4-dimethyl-3H-pyrrole
SMILESCCCCC1=C(C)CC(C)=N1
InChIInChI=1S/C10H17N/c1-4-5-6-10-8(2)7-9(3)11-10/h4-7H2,1-3H3
InChIKeyNPNWKBRLCYQJEK-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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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,4-dimethyl-3H-pyrrole?
The IUPAC name of 5-butyl-2,4-dimethyl-3H-pyrrole (CID 58851256) is 5-butyl-2,4-dimethyl-3H-pyrrole.
What is the SMILES notation for 5-butyl-2,4-dimethyl-3H-pyrrole?
The canonical SMILES for 5-butyl-2,4-dimethyl-3H-pyrrole is CCCCC1=C(C)CC(C)=N1.
What is the InChIKey of 5-butyl-2,4-dimethyl-3H-pyrrole?
The InChIKey is NPNWKBRLCYQJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-6-10-8(2)7-9(3)11-10/h4-7H2,1-3H3.
What are the key properties of 5-butyl-2,4-dimethyl-3H-pyrrole?
5-butyl-2,4-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 5-butyl-2,4-dimethyl-3H-pyrrole is sourced from PubChem (CID 58851256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).