2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole

C10H13N — CID 20647157

IUPAC2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole
SMILESCC1=NC2=C(C)CC(C)=C2C1
InChIInChI=1S/C10H13N/c1-6-4-7(2)10-9(6)5-8(3)11-10/h4-5H2,1-3H3
InChIKeyBVZNLTCFEKBCQY-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.85
Rot. Bonds

About 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole

2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole (PubChem CID 20647157) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole
PubChem CID20647157
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole
SMILESCC1=NC2=C(C)CC(C)=C2C1
InChIInChI=1S/C10H13N/c1-6-4-7(2)10-9(6)5-8(3)11-10/h4-5H2,1-3H3
InChIKeyBVZNLTCFEKBCQY-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole?
The IUPAC name of 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole (CID 20647157) is 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole?
The canonical SMILES for 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole is CC1=NC2=C(C)CC(C)=C2C1.
What is the InChIKey of 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole?
The InChIKey is BVZNLTCFEKBCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-6-4-7(2)10-9(6)5-8(3)11-10/h4-5H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole?
2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3,5-dihydrocyclopenta[b]pyrrole is sourced from PubChem (CID 20647157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).