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

C8H11N — CID 59820630

IUPAC3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC1=C2CCCC2=NC1
InChIInChI=1S/C8H11N/c1-6-5-9-8-4-2-3-7(6)8/h2-5H2,1H3
InChIKeyMJROBHDSQGKXQJ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.94
Rot. Bonds

About 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole

3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 59820630) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID59820630
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESCC1=C2CCCC2=NC1
InChIInChI=1S/C8H11N/c1-6-5-9-8-4-2-3-7(6)8/h2-5H2,1H3
InChIKeyMJROBHDSQGKXQJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trimethyl-2H-pyrrole
CID 12554796
5-Methyl-3-propan-2-ylidene-2,4-dihydropyrrole
CID 13017224
2,3,4,5-tetramethyl-2H-pyrrole
CID 18508458
2,4,5,6-Tetrahydrocyclopenta[b]pyrrole
CID 58126661
4-butyl-3,5-dimethyl-2H-pyrrole
CID 58851243
(2E)-2-(1-chloroethylidene)-N-ethylcyclopentan-1-imine
CID 68232305
3-Propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 118344851
(2Z)-2-butan-2-ylidene-N-methylcyclopentan-1-imine
CID 130217743
4-ethyl-3,5-dimethyl-2H-pyrrole
CID 140967570
2-ethyl-3,4,5-trimethyl-2H-pyrrole
CID 142156183
ethane;3,4,5-trimethyl-2H-pyrrole
CID 143924244
2-Methyl-3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 155421044

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 59820630) is 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole is CC1=C2CCCC2=NC1.
What is the InChIKey of 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is MJROBHDSQGKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-5-9-8-4-2-3-7(6)8/h2-5H2,1H3.
What are the key properties of 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole?
3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 121.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 59820630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).