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

C10H13N — CID 20647158

IUPAC2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole
SMILESCC1=NC2=C(C1)CC(C)=C2C
InChIInChI=1S/C10H13N/c1-6-4-9-5-7(2)11-10(9)8(6)3/h4-5H2,1-3H3
InChIKeyIXNIYCAYPLOYQU-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.85
Rot. Bonds

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

2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole (PubChem CID 20647158) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole
PubChem CID20647158
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole
SMILESCC1=NC2=C(C1)CC(C)=C2C
InChIInChI=1S/C10H13N/c1-6-4-9-5-7(2)11-10(9)8(6)3/h4-5H2,1-3H3
InChIKeyIXNIYCAYPLOYQU-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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Related Compounds

2-Butylcyclopenta[b]pyrrole
CID 17855694
2,4,6-Trimethyl-3,5-dihydrocyclopenta[b]pyrrole
CID 20647157
2,4,5-Trimethyl-3,6-dihydrocyclopenta[b]pyrrole
CID 20647159
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
4,10-Dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
CID 23542596
2-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 23558745
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809
2-methyl-6-methylidene-4,5-dihydro-3H-cyclopenta[b]pyrrole
CID 89409491
2-methyl-4-methylidene-5,6-dihydro-3H-cyclopenta[b]pyrrole
CID 89409492
2,5-Dimethyl-3,4-dihydrocyclopenta[b]pyrrole
CID 89607097
4,10-Dimethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 89607099
2,7-Dimethyl-3,4,5,8-tetrahydropyrrolo[2,3-e]indole
CID 89607100

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole?
The IUPAC name of 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole (CID 20647158) is 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole?
The canonical SMILES for 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole is CC1=NC2=C(C1)CC(C)=C2C.
What is the InChIKey of 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole?
The InChIKey is IXNIYCAYPLOYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-6-4-9-5-7(2)11-10(9)8(6)3/h4-5H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole?
2,5,6-trimethyl-3,4-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 2,5,6-trimethyl-3,4-dihydrocyclopenta[b]pyrrole is sourced from PubChem (CID 20647158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).