(2R)-5-tert-butyl-2-methyl-2H-pyrrole

C9H15N — CID 139444438

IUPAC(2R)-5-tert-butyl-2-methyl-2H-pyrrole
SMILESC[C@@H]1C=CC(C(C)(C)C)=N1
InChIInChI=1S/C9H15N/c1-7-5-6-8(10-7)9(2,3)4/h5-7H,1-4H3/t7-/m1/s1
InChIKeyCFZJTZYMGBCJHB-SSDOTTSWSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About (2R)-5-tert-butyl-2-methyl-2H-pyrrole

(2R)-5-tert-butyl-2-methyl-2H-pyrrole (PubChem CID 139444438) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2R)-5-tert-butyl-2-methyl-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-tert-butyl-2-methyl-2H-pyrrole
PubChem CID139444438
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2R)-5-tert-butyl-2-methyl-2H-pyrrole
SMILESC[C@@H]1C=CC(C(C)(C)C)=N1
InChIInChI=1S/C9H15N/c1-7-5-6-8(10-7)9(2,3)4/h5-7H,1-4H3/t7-/m1/s1
InChIKeyCFZJTZYMGBCJHB-SSDOTTSWSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-tert-butyl-2-methyl-2H-pyrrole?
The IUPAC name of (2R)-5-tert-butyl-2-methyl-2H-pyrrole (CID 139444438) is (2R)-5-tert-butyl-2-methyl-2H-pyrrole.
What is the SMILES notation for (2R)-5-tert-butyl-2-methyl-2H-pyrrole?
The canonical SMILES for (2R)-5-tert-butyl-2-methyl-2H-pyrrole is C[C@@H]1C=CC(C(C)(C)C)=N1.
What is the InChIKey of (2R)-5-tert-butyl-2-methyl-2H-pyrrole?
The InChIKey is CFZJTZYMGBCJHB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-6-8(10-7)9(2,3)4/h5-7H,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-5-tert-butyl-2-methyl-2H-pyrrole?
(2R)-5-tert-butyl-2-methyl-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-tert-butyl-2-methyl-2H-pyrrole is sourced from PubChem (CID 139444438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).