5-tert-butyl-3,4-dihydro-2H-pyrrole

C8H15N — CID 2777143

IUPAC5-tert-butyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(C)C1=NCCC1
InChIInChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h4-6H2,1-3H3
InChIKeyQEFNEUAIICKMRL-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About 5-tert-butyl-3,4-dihydro-2H-pyrrole

5-tert-butyl-3,4-dihydro-2H-pyrrole (PubChem CID 2777143) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-3,4-dihydro-2H-pyrrole
PubChem CID2777143
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-tert-butyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(C)C1=NCCC1
InChIInChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h4-6H2,1-3H3
InChIKeyQEFNEUAIICKMRL-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-Butyl-2,3,4,5-tetrahydropyridine
CID 546050
3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 5323987
2-Isopropyl-1-pyrroline
CID 11126203
2H-Pyrrole, 3,4-dihydro-3,3,5-trimethyl-
CID 12141939
3,4,5,6-Tetrahydro-2,3,3-trimethylpyridine
CID 13157776
Trimethyl-1-pyrroline
CID 59294321
6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine
CID 91327757
4-Fluoro-3,3,5-trimethyl-2,4-dihydropyrrole
CID 68070892
Pyrroline, 2-isobutyl
CID 58280054
(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 15939097
5-Ethyl-3,3-dimethyl-2,4-dihydropyrrole
CID 15652690
4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 45092476

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-tert-butyl-3,4-dihydro-2H-pyrrole (CID 2777143) is 5-tert-butyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-tert-butyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-tert-butyl-3,4-dihydro-2H-pyrrole is CC(C)(C)C1=NCCC1.
What is the InChIKey of 5-tert-butyl-3,4-dihydro-2H-pyrrole?
The InChIKey is QEFNEUAIICKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-3,4-dihydro-2H-pyrrole?
5-tert-butyl-3,4-dihydro-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 2777143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).