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

C10H17N — CID 91598849

IUPAC5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole
SMILESCC1C=CC(CC(C)(C)C)=N1
InChIInChI=1S/C10H17N/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyGPYNWURVCQHEIQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds1

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

5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole (PubChem CID 91598849) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole
PubChem CID91598849
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole
SMILESCC1C=CC(CC(C)(C)C)=N1
InChIInChI=1S/C10H17N/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyGPYNWURVCQHEIQ-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

(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
CID 166646201
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
2,5-ditert-butyl-2H-pyrrole
CID 22374998
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-tert-butyl-2H-pyrrole
CID 57674557
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
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510
4-tert-butyl-5-methyl-2H-pyrrole
CID 58263540

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole (CID 91598849) is 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole is CC1C=CC(CC(C)(C)C)=N1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole?
The InChIKey is GPYNWURVCQHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole?
5-(2,2-dimethylpropyl)-2-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 5-(2,2-dimethylpropyl)-2-methyl-2H-pyrrole is sourced from PubChem (CID 91598849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).