2-tert-butyl-3,5-dimethyl-1H-pyrrole

C10H17N — CID 130016450

IUPAC2-tert-butyl-3,5-dimethyl-1H-pyrrole
SMILESCc1cc(C)c(C(C)(C)C)[nH]1
InChIInChI=1S/C10H17N/c1-7-6-8(2)11-9(7)10(3,4)5/h6,11H,1-5H3
InChIKeyPBRWEQDQHULKEJ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.93
Rot. Bonds

About 2-tert-butyl-3,5-dimethyl-1H-pyrrole

2-tert-butyl-3,5-dimethyl-1H-pyrrole (PubChem CID 130016450) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-tert-butyl-3,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-3,5-dimethyl-1H-pyrrole
PubChem CID130016450
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-tert-butyl-3,5-dimethyl-1H-pyrrole
SMILESCc1cc(C)c(C(C)(C)C)[nH]1
InChIInChI=1S/C10H17N/c1-7-6-8(2)11-9(7)10(3,4)5/h6,11H,1-5H3
InChIKeyPBRWEQDQHULKEJ-UHFFFAOYSA-N
XLogP2.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-dimethyl-1H-pyrrole?
The IUPAC name of 2-tert-butyl-3,5-dimethyl-1H-pyrrole (CID 130016450) is 2-tert-butyl-3,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 2-tert-butyl-3,5-dimethyl-1H-pyrrole?
The canonical SMILES for 2-tert-butyl-3,5-dimethyl-1H-pyrrole is Cc1cc(C)c(C(C)(C)C)[nH]1.
What is the InChIKey of 2-tert-butyl-3,5-dimethyl-1H-pyrrole?
The InChIKey is PBRWEQDQHULKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-6-8(2)11-9(7)10(3,4)5/h6,11H,1-5H3.
What are the key properties of 2-tert-butyl-3,5-dimethyl-1H-pyrrole?
2-tert-butyl-3,5-dimethyl-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 130016450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).