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

C14H25N — CID 153490291

IUPAC2,3-ditert-butyl-1,5-dimethylpyrrole
SMILESCc1cc(C(C)(C)C)c(C(C)(C)C)n1C
InChIInChI=1S/C14H25N/c1-10-9-11(13(2,3)4)12(15(10)8)14(5,6)7/h9H,1-8H3
InChIKeyVHUWDPGARYUFDZ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.93
Rot. Bonds

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

2,3-ditert-butyl-1,5-dimethylpyrrole (PubChem CID 153490291) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,3-ditert-butyl-1,5-dimethylpyrrole.

Molecular Properties

Compound Name2,3-ditert-butyl-1,5-dimethylpyrrole
PubChem CID153490291
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,3-ditert-butyl-1,5-dimethylpyrrole
SMILESCc1cc(C(C)(C)C)c(C(C)(C)C)n1C
InChIInChI=1S/C14H25N/c1-10-9-11(13(2,3)4)12(15(10)8)14(5,6)7/h9H,1-8H3
InChIKeyVHUWDPGARYUFDZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1,5-dimethylpyrrole-3-carboxylic acid
CID 83531307
2,4-ditert-butyl-1,3-dimethylpyrrole
CID 163982541
1,3-ditert-butyl-2,5-dimethylpyrrole
CID 169017974
(3,5-ditert-butyl-4-hydroxyphenyl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 23046279
calcium bis(2,6-ditert-butyl-4-methylphenolate)
CID 162348693
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
1-bromo-2-tert-butyl-4,5-dimethylbenzene
CID 23588940
2,5-ditert-butyl-1,3-dimethylindole
CID 59882822
3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 164772432
CID 15962849
CID 15962849
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
2-[[4,7-bis[(3,5-ditert-butyl-2-oxidophenyl)methyl]-1,4,7-triazonan-1-yl]methyl]-4,6-ditert-butylphenolate
CID 102448277

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1,5-dimethylpyrrole?
The IUPAC name of 2,3-ditert-butyl-1,5-dimethylpyrrole (CID 153490291) is 2,3-ditert-butyl-1,5-dimethylpyrrole.
What is the SMILES notation for 2,3-ditert-butyl-1,5-dimethylpyrrole?
The canonical SMILES for 2,3-ditert-butyl-1,5-dimethylpyrrole is Cc1cc(C(C)(C)C)c(C(C)(C)C)n1C.
What is the InChIKey of 2,3-ditert-butyl-1,5-dimethylpyrrole?
The InChIKey is VHUWDPGARYUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-9-11(13(2,3)4)12(15(10)8)14(5,6)7/h9H,1-8H3.
What are the key properties of 2,3-ditert-butyl-1,5-dimethylpyrrole?
2,3-ditert-butyl-1,5-dimethylpyrrole has a molecular weight of 207.36 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1,5-dimethylpyrrole is sourced from PubChem (CID 153490291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).