2,3-ditert-butyl-2,3-dihydro-1H-pyrrole

C12H23N — CID 59299149

IUPAC2,3-ditert-butyl-2,3-dihydro-1H-pyrrole
SMILESCC(C)(C)C1C=CNC1C(C)(C)C
InChIInChI=1S/C12H23N/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-10,13H,1-6H3
InChIKeyJHYJAAXOHUGYOQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.18
Rot. Bonds

About 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole

2,3-ditert-butyl-2,3-dihydro-1H-pyrrole (PubChem CID 59299149) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2,3-ditert-butyl-2,3-dihydro-1H-pyrrole
PubChem CID59299149
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,3-ditert-butyl-2,3-dihydro-1H-pyrrole
SMILESCC(C)(C)C1C=CNC1C(C)(C)C
InChIInChI=1S/C12H23N/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-10,13H,1-6H3
InChIKeyJHYJAAXOHUGYOQ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine
CID 141419508
2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole
CID 167204966
5-Methyl-5-propyl-2-pyrroline
CID 129786642
2-methyl-3-pentyl-2,3-dihydro-1H-pyrrole
CID 145707117
2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 22965808
2,2-Di(propan-2-yl)-1,3-dihydropyrrole
CID 58055981
3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
CID 58055997
3,3-Di(propan-2-yl)-1,2-dihydropyrrole
CID 58056057
2-Ethyl-3-methyl-1,2,3,4-tetrahydropyridine
CID 58247687
3-tert-butyl-2,3-dihydro-1H-pyrrole
CID 58312075
2,3-Di(propan-2-yl)-1,2,3,4-tetrahydropyridine
CID 58469976
(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine
CID 58897206

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole (CID 59299149) is 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole is CC(C)(C)C1C=CNC1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole?
The InChIKey is JHYJAAXOHUGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-10,13H,1-6H3.
What are the key properties of 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole?
2,3-ditert-butyl-2,3-dihydro-1H-pyrrole has a molecular weight of 181.32 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 59299149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).