2-(2,3-dimethylbutan-2-yl)-3H-pyrrole

C10H17N — CID 118967359

IUPAC2-(2,3-dimethylbutan-2-yl)-3H-pyrrole
SMILESCC(C)C(C)(C)C1=NC=CC1
InChIInChI=1S/C10H17N/c1-8(2)10(3,4)9-6-5-7-11-9/h5,7-8H,6H2,1-4H3
InChIKeyIOJASKGEJVQYFC-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole

2-(2,3-dimethylbutan-2-yl)-3H-pyrrole (PubChem CID 118967359) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-3H-pyrrole
PubChem CID118967359
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(2,3-dimethylbutan-2-yl)-3H-pyrrole
SMILESCC(C)C(C)(C)C1=NC=CC1
InChIInChI=1S/C10H17N/c1-8(2)10(3,4)9-6-5-7-11-9/h5,7-8H,6H2,1-4H3
InChIKeyIOJASKGEJVQYFC-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole (CID 118967359) is 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole is CC(C)C(C)(C)C1=NC=CC1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole?
The InChIKey is IOJASKGEJVQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(3,4)9-6-5-7-11-9/h5,7-8H,6H2,1-4H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole?
2-(2,3-dimethylbutan-2-yl)-3H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-3H-pyrrole is sourced from PubChem (CID 118967359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).