1,3-ditert-butyl-2,5-dimethylpyrrole

C14H25N — CID 169017974

IUPAC1,3-ditert-butyl-2,5-dimethylpyrrole
SMILESCc1cc(C(C)(C)C)c(C)n1C(C)(C)C
InChIInChI=1S/C14H25N/c1-10-9-12(13(3,4)5)11(2)15(10)14(6,7)8/h9H,1-8H3
InChIKeyAYWQWUXVLNUZDG-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.16
Rot. Bonds

About 1,3-ditert-butyl-2,5-dimethylpyrrole

1,3-ditert-butyl-2,5-dimethylpyrrole (PubChem CID 169017974) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,3-ditert-butyl-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1,3-ditert-butyl-2,5-dimethylpyrrole
PubChem CID169017974
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,3-ditert-butyl-2,5-dimethylpyrrole
SMILESCc1cc(C(C)(C)C)c(C)n1C(C)(C)C
InChIInChI=1S/C14H25N/c1-10-9-12(13(3,4)5)11(2)15(10)14(6,7)8/h9H,1-8H3
InChIKeyAYWQWUXVLNUZDG-UHFFFAOYSA-N
XLogP4.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-ditert-butyl-1,5-dimethylpyrrole
CID 153490291
calcium bis(2,6-ditert-butyl-4-methylphenolate)
CID 162348693
1,3,4-tritert-butylpyrrole
CID 24977707
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 110654182
1-tert-butyl-2-fluoro-5-methylpyrrole
CID 146377950
2,3-ditert-butylnaphthalene
CID 14173307
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
3,4-ditert-butylfuran
CID 15635411
2,4-ditert-butyl-1,6,7-trimethylnaphthalene
CID 171579051
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-propan-2-ylanilino)ethanone
CID 110654271
dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
CID 11236288
lithium 2-tert-butyl-4,6-dimethylphenolate
CID 23711471

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2,5-dimethylpyrrole?
The IUPAC name of 1,3-ditert-butyl-2,5-dimethylpyrrole (CID 169017974) is 1,3-ditert-butyl-2,5-dimethylpyrrole.
What is the SMILES notation for 1,3-ditert-butyl-2,5-dimethylpyrrole?
The canonical SMILES for 1,3-ditert-butyl-2,5-dimethylpyrrole is Cc1cc(C(C)(C)C)c(C)n1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-2,5-dimethylpyrrole?
The InChIKey is AYWQWUXVLNUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-9-12(13(3,4)5)11(2)15(10)14(6,7)8/h9H,1-8H3.
What are the key properties of 1,3-ditert-butyl-2,5-dimethylpyrrole?
1,3-ditert-butyl-2,5-dimethylpyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2,5-dimethylpyrrole is sourced from PubChem (CID 169017974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).