2-(3,3-dimethylbutyl)-3H-pyrrole

C10H17N — CID 158200683

IUPAC2-(3,3-dimethylbutyl)-3H-pyrrole
SMILESCC(C)(C)CCC1=NC=CC1
InChIInChI=1S/C10H17N/c1-10(2,3)7-6-9-5-4-8-11-9/h4,8H,5-7H2,1-3H3
InChIKeyGAWYYMWBDJQNHQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-3H-pyrrole

2-(3,3-dimethylbutyl)-3H-pyrrole (PubChem CID 158200683) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-3H-pyrrole.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-3H-pyrrole
PubChem CID158200683
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(3,3-dimethylbutyl)-3H-pyrrole
SMILESCC(C)(C)CCC1=NC=CC1
InChIInChI=1S/C10H17N/c1-10(2,3)7-6-9-5-4-8-11-9/h4,8H,5-7H2,1-3H3
InChIKeyGAWYYMWBDJQNHQ-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
CID 59159512
2-(2,2-Difluoropentyl)-3,3-dimethylpyrrole
CID 141403109
2,4-Dimethyl-4-ethylpyridine
CID 129809879
2-tert-butyl-3H-pyrrole
CID 20633656
4-tert-butyl-2-methyl-3H-pyrrole
CID 20737593
2-methyl-3-propyl-3H-pyrrole
CID 20806847
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
2-(2,2-dimethylpropyl)-3H-pyrrole
CID 58530741
2-butan-2-yl-3H-pyrrole
CID 58559892
3-methyl-2-propan-2-yl-3H-pyrrole
CID 58564369
2-(2-methylpropyl)-3H-pyrrole
CID 59447839
2-tert-butyl-1-methyl-3H-pyrrol-1-ium
CID 59583122

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-3H-pyrrole?
The IUPAC name of 2-(3,3-dimethylbutyl)-3H-pyrrole (CID 158200683) is 2-(3,3-dimethylbutyl)-3H-pyrrole.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-3H-pyrrole?
The canonical SMILES for 2-(3,3-dimethylbutyl)-3H-pyrrole is CC(C)(C)CCC1=NC=CC1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-3H-pyrrole?
The InChIKey is GAWYYMWBDJQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)7-6-9-5-4-8-11-9/h4,8H,5-7H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-3H-pyrrole?
2-(3,3-dimethylbutyl)-3H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-3H-pyrrole is sourced from PubChem (CID 158200683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).