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

C10H17N — CID 58186510

IUPAC4-tert-butyl-3,5-dimethyl-2H-pyrrole
SMILESCC1=NCC(C)=C1C(C)(C)C
InChIInChI=1S/C10H17N/c1-7-6-11-8(2)9(7)10(3,4)5/h6H2,1-5H3
InChIKeyNXRRGLKVZSFGIG-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds

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

4-tert-butyl-3,5-dimethyl-2H-pyrrole (PubChem CID 58186510) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethyl-2H-pyrrole
PubChem CID58186510
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-tert-butyl-3,5-dimethyl-2H-pyrrole
SMILESCC1=NCC(C)=C1C(C)(C)C
InChIInChI=1S/C10H17N/c1-7-6-11-8(2)9(7)10(3,4)5/h6H2,1-5H3
InChIKeyNXRRGLKVZSFGIG-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-2H-pyrrole?
The IUPAC name of 4-tert-butyl-3,5-dimethyl-2H-pyrrole (CID 58186510) is 4-tert-butyl-3,5-dimethyl-2H-pyrrole.
What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-2H-pyrrole?
The canonical SMILES for 4-tert-butyl-3,5-dimethyl-2H-pyrrole is CC1=NCC(C)=C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3,5-dimethyl-2H-pyrrole?
The InChIKey is NXRRGLKVZSFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-6-11-8(2)9(7)10(3,4)5/h6H2,1-5H3.
What are the key properties of 4-tert-butyl-3,5-dimethyl-2H-pyrrole?
4-tert-butyl-3,5-dimethyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethyl-2H-pyrrole is sourced from PubChem (CID 58186510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).