5-tert-butyl-2,3-dihydro-1H-pyrrole

C8H15N — CID 573472

IUPAC5-tert-butyl-2,3-dihydro-1H-pyrrole
SMILESCC(C)(C)C1=CCCN1
InChIInChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h5,9H,4,6H2,1-3H3
InChIKeyYPNGFYOHBPYEKZ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds

About 5-tert-butyl-2,3-dihydro-1H-pyrrole

5-tert-butyl-2,3-dihydro-1H-pyrrole (PubChem CID 573472) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-pyrrole
PubChem CID573472
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-tert-butyl-2,3-dihydro-1H-pyrrole
SMILESCC(C)(C)C1=CCCN1
InChIInChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h5,9H,4,6H2,1-3H3
InChIKeyYPNGFYOHBPYEKZ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-pyrrole (CID 573472) is 5-tert-butyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-pyrrole is CC(C)(C)C1=CCCN1.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-pyrrole?
The InChIKey is YPNGFYOHBPYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h5,9H,4,6H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-pyrrole?
5-tert-butyl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 573472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).