3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole

C10H17N — CID 167549798

IUPAC3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole
SMILESCC1=NCC(CC(C)(C)C)=C1
InChIInChI=1S/C10H17N/c1-8-5-9(7-11-8)6-10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyVGSXUBPZDHNULY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole

3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole (PubChem CID 167549798) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole
PubChem CID167549798
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole
SMILESCC1=NCC(CC(C)(C)C)=C1
InChIInChI=1S/C10H17N/c1-8-5-9(7-11-8)6-10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyVGSXUBPZDHNULY-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-methyl-3-(2,3,3-trimethylbutyl)-2H-pyrrole
CID 58051750
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
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
3-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263444
4-tert-butyl-5-methyl-2H-pyrrole
CID 58263540
4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748
3-tert-butyl-5-methyl-2H-pyrrole
CID 58263876

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole (CID 167549798) is 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole is CC1=NCC(CC(C)(C)C)=C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole?
The InChIKey is VGSXUBPZDHNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-5-9(7-11-8)6-10(2,3)4/h5H,6-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole?
3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole has a molecular weight of 151.25 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-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole is sourced from PubChem (CID 167549798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).