3-tert-butyl-5-cyclopropyl-2H-pyrrole

C11H17N — CID 157177038

IUPAC3-tert-butyl-5-cyclopropyl-2H-pyrrole
SMILESCC(C)(C)C1=CC(C2CC2)=NC1
InChIInChI=1S/C11H17N/c1-11(2,3)9-6-10(12-7-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyYTNSJBSGKQFJHH-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds1

About 3-tert-butyl-5-cyclopropyl-2H-pyrrole

3-tert-butyl-5-cyclopropyl-2H-pyrrole (PubChem CID 157177038) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-2H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopropyl-2H-pyrrole
PubChem CID157177038
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-tert-butyl-5-cyclopropyl-2H-pyrrole
SMILESCC(C)(C)C1=CC(C2CC2)=NC1
InChIInChI=1S/C11H17N/c1-11(2,3)9-6-10(12-7-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3
InChIKeyYTNSJBSGKQFJHH-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
CID 134299333
3-tert-butyl-5-cyclopropyl-4-fluoro-2H-pyrrole
CID 147086642
5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole
CID 157262178
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-tert-butyl-3-methyl-2H-pyrrole
CID 58093880
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
3,5-ditert-butyl-2H-pyrrole
CID 58139020
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
3-tert-butyl-5-methyl-2H-pyrrole
CID 58263876
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
3-methyl-5-propan-2-yl-2H-pyrrole
CID 58431822

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-2H-pyrrole?
The IUPAC name of 3-tert-butyl-5-cyclopropyl-2H-pyrrole (CID 157177038) is 3-tert-butyl-5-cyclopropyl-2H-pyrrole.
What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-2H-pyrrole?
The canonical SMILES for 3-tert-butyl-5-cyclopropyl-2H-pyrrole is CC(C)(C)C1=CC(C2CC2)=NC1.
What is the InChIKey of 3-tert-butyl-5-cyclopropyl-2H-pyrrole?
The InChIKey is YTNSJBSGKQFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2,3)9-6-10(12-7-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-cyclopropyl-2H-pyrrole?
3-tert-butyl-5-cyclopropyl-2H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopropyl-2H-pyrrole is sourced from PubChem (CID 157177038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).