4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole

C13H23N — CID 59151156

IUPAC4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole
SMILESC=C1CC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C13H23N/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h14H,1,8H2,2-7H3
InChIKeyVIHAGLOOCAACFS-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.84
Rot. Bonds

About 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole

4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole (PubChem CID 59151156) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole.

Molecular Properties

Compound Name4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole
PubChem CID59151156
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole
SMILESC=C1CC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C13H23N/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h14H,1,8H2,2-7H3
InChIKeyVIHAGLOOCAACFS-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole?
The IUPAC name of 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole (CID 59151156) is 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole.
What is the SMILES notation for 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole?
The canonical SMILES for 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole is C=C1CC(C(C)(C)C)=C(C(C)(C)C)N1.
What is the InChIKey of 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole?
The InChIKey is VIHAGLOOCAACFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9-8-10(12(2,3)4)11(14-9)13(5,6)7/h14H,1,8H2,2-7H3.
What are the key properties of 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole?
4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-methylidene-1,3-dihydropyrrole is sourced from PubChem (CID 59151156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).