1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole

C16H28N2 — CID 130334777

IUPAC1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole
SMILESCC(C)(C)N1CCC=C1C1=CCCN1C(C)(C)C
InChIInChI=1S/C16H28N2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h9-10H,7-8,11-12H2,1-6H3
InChIKeyWMEPEZPDPLAOBS-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.76
Rot. Bonds1

About 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole

1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole (PubChem CID 130334777) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole
PubChem CID130334777
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole
SMILESCC(C)(C)N1CCC=C1C1=CCCN1C(C)(C)C
InChIInChI=1S/C16H28N2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h9-10H,7-8,11-12H2,1-6H3
InChIKeyWMEPEZPDPLAOBS-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole?
The IUPAC name of 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole (CID 130334777) is 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole?
The canonical SMILES for 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole is CC(C)(C)N1CCC=C1C1=CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole?
The InChIKey is WMEPEZPDPLAOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h9-10H,7-8,11-12H2,1-6H3.
What are the key properties of 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole?
1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole has a molecular weight of 248.41 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(1-tert-butyl-2,3-dihydropyrrol-5-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 130334777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).