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

C8H15N — CID 58312077

IUPAC3-tert-butyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(C)C1CC=NC1
InChIInChI=1S/C8H15N/c1-8(2,3)7-4-5-9-6-7/h5,7H,4,6H2,1-3H3
InChIKeyRWFPXMUUQOMTCA-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.12
Rot. Bonds

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

3-tert-butyl-3,4-dihydro-2H-pyrrole (PubChem CID 58312077) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-tert-butyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-3,4-dihydro-2H-pyrrole
PubChem CID58312077
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-tert-butyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(C)C1CC=NC1
InChIInChI=1S/C8H15N/c1-8(2,3)7-4-5-9-6-7/h5,7H,4,6H2,1-3H3
InChIKeyRWFPXMUUQOMTCA-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1r,5s)-6,6-Dimethyl-3-azabicyclo[3.1.0]hex-2-ene
CID 25111092
3,3-Diethyl-4,5-dihydro-pyrrole
CID 24977838
4-Tert-butyl-2,3,4,5-tetrahydropyridine
CID 21567712
7-Methyl-5-azaspiro[2.4]hept-4-ene
CID 23539491
(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-ene
CID 42634985
(3S)-3-(2-methylpropyl)-3,4-dihydro-2H-pyrrole
CID 49819362
4-Propan-2-yl-2,3,4,5-tetrahydropyridine
CID 57006041
4-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 58473790
3-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 58473812
3-Butan-2-yl-3,4-dihydropyrrol-1-ium
CID 58590193
(7S)-7-methyl-5-azaspiro[2.4]hept-4-ene
CID 58666117
2-tert-butyl-N,4-dimethylpentan-1-imine
CID 58808289

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-tert-butyl-3,4-dihydro-2H-pyrrole (CID 58312077) is 3-tert-butyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-tert-butyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-tert-butyl-3,4-dihydro-2H-pyrrole is CC(C)(C)C1CC=NC1.
What is the InChIKey of 3-tert-butyl-3,4-dihydro-2H-pyrrole?
The InChIKey is RWFPXMUUQOMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2,3)7-4-5-9-6-7/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-tert-butyl-3,4-dihydro-2H-pyrrole?
3-tert-butyl-3,4-dihydro-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58312077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).