2-tert-butyl-3H-pyrrole;ethane

C10H19N — CID 161446018

IUPAC2-tert-butyl-3H-pyrrole;ethane
SMILESCC.CC(C)(C)C1=NC=CC1
InChIInChI=1S/C8H13N.C2H6/c1-8(2,3)7-5-4-6-9-7;1-2/h4,6H,5H2,1-3H3;1-2H3
InChIKeyVZWZGKIJJPXKNW-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds

About 2-tert-butyl-3H-pyrrole;ethane

2-tert-butyl-3H-pyrrole;ethane (PubChem CID 161446018) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-tert-butyl-3H-pyrrole;ethane.

Molecular Properties

Compound Name2-tert-butyl-3H-pyrrole;ethane
PubChem CID161446018
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-tert-butyl-3H-pyrrole;ethane
SMILESCC.CC(C)(C)C1=NC=CC1
InChIInChI=1S/C8H13N.C2H6/c1-8(2,3)7-5-4-6-9-7;1-2/h4,6H,5H2,1-3H3;1-2H3
InChIKeyVZWZGKIJJPXKNW-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158012129
2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane
CID 159067766
6-tert-butyl-2,5-dihydropyridine;methane
CID 157395266
2-(2,2-dimethylpropyl)-3H-pyrrole
CID 58530741
ethane;2-ethyl-3H-pyrrole;propane
CID 171562713
2-methylsulfinyl-3H-pyrrole
CID 159434011
3-tert-butyl-1-methyl-4H-pyrazol-1-ium
CID 167419976
ethene;2-propan-2-yl-3H-pyrrole
CID 142624380
ethane;N-methylacetamide;2-methyl-3H-pyrrole
CID 161394735
4-tert-butyl-2,3-dihydroazete
CID 147660331
2-methyl-2-phenyl-N-(3H-pyrrol-2-yl)propanamide
CID 58609978
7-methoxy-2-methyl-6H-1,3-diazonine
CID 163969738

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-pyrrole;ethane?
The IUPAC name of 2-tert-butyl-3H-pyrrole;ethane (CID 161446018) is 2-tert-butyl-3H-pyrrole;ethane.
What is the SMILES notation for 2-tert-butyl-3H-pyrrole;ethane?
The canonical SMILES for 2-tert-butyl-3H-pyrrole;ethane is CC.CC(C)(C)C1=NC=CC1.
What is the InChIKey of 2-tert-butyl-3H-pyrrole;ethane?
The InChIKey is VZWZGKIJJPXKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-8(2,3)7-5-4-6-9-7;1-2/h4,6H,5H2,1-3H3;1-2H3.
What are the key properties of 2-tert-butyl-3H-pyrrole;ethane?
2-tert-butyl-3H-pyrrole;ethane has a molecular weight of 153.27 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-pyrrole;ethane is sourced from PubChem (CID 161446018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).