1-(2,2-dimethylbutyl)pyrrole

C10H17N — CID 103463815

IUPAC1-(2,2-dimethylbutyl)pyrrole
SMILESCCC(C)(C)Cn1cccc1
InChIInChI=1S/C10H17N/c1-4-10(2,3)9-11-7-5-6-8-11/h5-8H,4,9H2,1-3H3
InChIKeyQKSXDPICLOQGLH-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.92
Rot. Bonds3

About 1-(2,2-dimethylbutyl)pyrrole

1-(2,2-dimethylbutyl)pyrrole (PubChem CID 103463815) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)pyrrole.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)pyrrole
PubChem CID103463815
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(2,2-dimethylbutyl)pyrrole
SMILESCCC(C)(C)Cn1cccc1
InChIInChI=1S/C10H17N/c1-4-10(2,3)9-11-7-5-6-8-11/h5-8H,4,9H2,1-3H3
InChIKeyQKSXDPICLOQGLH-UHFFFAOYSA-N
XLogP2.92
TPSA4.93 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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)pyrrole?
The IUPAC name of 1-(2,2-dimethylbutyl)pyrrole (CID 103463815) is 1-(2,2-dimethylbutyl)pyrrole.
What is the SMILES notation for 1-(2,2-dimethylbutyl)pyrrole?
The canonical SMILES for 1-(2,2-dimethylbutyl)pyrrole is CCC(C)(C)Cn1cccc1.
What is the InChIKey of 1-(2,2-dimethylbutyl)pyrrole?
The InChIKey is QKSXDPICLOQGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(2,3)9-11-7-5-6-8-11/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutyl)pyrrole?
1-(2,2-dimethylbutyl)pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)pyrrole is sourced from PubChem (CID 103463815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).