2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole

C8H11N — CID 11819082

IUPAC2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCc1cc2c([nH]1)CCC2
InChIInChI=1S/C8H11N/c1-6-5-7-3-2-4-8(7)9-6/h5,9H,2-4H2,1H3
InChIKeyFPTVEBZXBUYUOW-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.81
Rot. Bonds

About 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole

2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 11819082) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID11819082
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCc1cc2c([nH]1)CCC2
InChIInChI=1S/C8H11N/c1-6-5-7-3-2-4-8(7)9-6/h5,9H,2-4H2,1H3
InChIKeyFPTVEBZXBUYUOW-UHFFFAOYSA-N
XLogP1.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole
CID 82416753
3-methyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 146432464
3-methyl-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-one
CID 163969307
1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
CID 82417563
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
CID 82418938
2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798227
2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623300
2-(1-methylcyclononyl)-4,5,6,7-tetrahydro-1H-indole
CID 173178525
ethane;2-methyl-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 172623299
2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole
CID 173178556
2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde
CID 142750657
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydro-1H-indole
CID 176793059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 11819082) is 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole is Cc1cc2c([nH]1)CCC2.
What is the InChIKey of 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is FPTVEBZXBUYUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-5-7-3-2-4-8(7)9-6/h5,9H,2-4H2,1H3.
What are the key properties of 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 121.18 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 11819082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).