1-tert-butyl-3,4-di(propan-2-yl)pyrrole

C14H25N — CID 71189502

IUPAC1-tert-butyl-3,4-di(propan-2-yl)pyrrole
SMILESCC(C)c1cn(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C14H25N/c1-10(2)12-8-15(14(5,6)7)9-13(12)11(3)4/h8-11H,1-7H3
InChIKeyBCUXNTUNIWQMGQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.49
Rot. Bonds2

About 1-tert-butyl-3,4-di(propan-2-yl)pyrrole

1-tert-butyl-3,4-di(propan-2-yl)pyrrole (PubChem CID 71189502) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-tert-butyl-3,4-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name1-tert-butyl-3,4-di(propan-2-yl)pyrrole
PubChem CID71189502
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-tert-butyl-3,4-di(propan-2-yl)pyrrole
SMILESCC(C)c1cn(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C14H25N/c1-10(2)12-8-15(14(5,6)7)9-13(12)11(3)4/h8-11H,1-7H3
InChIKeyBCUXNTUNIWQMGQ-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-di(propan-2-yl)pyrrole?
The IUPAC name of 1-tert-butyl-3,4-di(propan-2-yl)pyrrole (CID 71189502) is 1-tert-butyl-3,4-di(propan-2-yl)pyrrole.
What is the SMILES notation for 1-tert-butyl-3,4-di(propan-2-yl)pyrrole?
The canonical SMILES for 1-tert-butyl-3,4-di(propan-2-yl)pyrrole is CC(C)c1cn(C(C)(C)C)cc1C(C)C.
What is the InChIKey of 1-tert-butyl-3,4-di(propan-2-yl)pyrrole?
The InChIKey is BCUXNTUNIWQMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10(2)12-8-15(14(5,6)7)9-13(12)11(3)4/h8-11H,1-7H3.
What are the key properties of 1-tert-butyl-3,4-di(propan-2-yl)pyrrole?
1-tert-butyl-3,4-di(propan-2-yl)pyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-di(propan-2-yl)pyrrole is sourced from PubChem (CID 71189502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).