2,2,4,4-tetramethyl-3H-pyrrole

C8H15N — CID 10486854

IUPAC2,2,4,4-tetramethyl-3H-pyrrole
SMILESCC1(C)C=NC(C)(C)C1
InChIInChI=1S/C8H15N/c1-7(2)5-8(3,4)9-6-7/h6H,5H2,1-4H3
InChIKeyJQCNZBBOSBUTND-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About 2,2,4,4-tetramethyl-3H-pyrrole

2,2,4,4-tetramethyl-3H-pyrrole (PubChem CID 10486854) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3H-pyrrole.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3H-pyrrole
PubChem CID10486854
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,2,4,4-tetramethyl-3H-pyrrole
SMILESCC1(C)C=NC(C)(C)C1
InChIInChI=1S/C8H15N/c1-7(2)5-8(3,4)9-6-7/h6H,5H2,1-4H3
InChIKeyJQCNZBBOSBUTND-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 17835300
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CID 58200078
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CID 58792439
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CID 59151481
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CID 89313483
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CID 89497259
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CID 89854441
CID 89854441

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3H-pyrrole?
The IUPAC name of 2,2,4,4-tetramethyl-3H-pyrrole (CID 10486854) is 2,2,4,4-tetramethyl-3H-pyrrole.
What is the SMILES notation for 2,2,4,4-tetramethyl-3H-pyrrole?
The canonical SMILES for 2,2,4,4-tetramethyl-3H-pyrrole is CC1(C)C=NC(C)(C)C1.
What is the InChIKey of 2,2,4,4-tetramethyl-3H-pyrrole?
The InChIKey is JQCNZBBOSBUTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)5-8(3,4)9-6-7/h6H,5H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-3H-pyrrole?
2,2,4,4-tetramethyl-3H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3H-pyrrole is sourced from PubChem (CID 10486854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).