4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole

C11H17N — CID 164981744

IUPAC4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole
SMILESCC1(C)CC(C)(C)C2=C1C=NC2
InChIInChI=1S/C11H17N/c1-10(2)7-11(3,4)9-6-12-5-8(9)10/h5H,6-7H2,1-4H3
InChIKeyJDIINZZWCJZLGS-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds

About 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole

4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole (PubChem CID 164981744) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole
PubChem CID164981744
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole
SMILESCC1(C)CC(C)(C)C2=C1C=NC2
InChIInChI=1S/C11H17N/c1-10(2)7-11(3,4)9-6-12-5-8(9)10/h5H,6-7H2,1-4H3
InChIKeyJDIINZZWCJZLGS-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole?
The IUPAC name of 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole (CID 164981744) is 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole.
What is the SMILES notation for 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole?
The canonical SMILES for 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole is CC1(C)CC(C)(C)C2=C1C=NC2.
What is the InChIKey of 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole?
The InChIKey is JDIINZZWCJZLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)7-11(3,4)9-6-12-5-8(9)10/h5H,6-7H2,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole?
4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-1,5-dihydrocyclopenta[c]pyrrole is sourced from PubChem (CID 164981744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).