3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole

C11H17N — CID 20674236

IUPAC3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
SMILESCC1=C2CCCCCCC2=NC1
InChIInChI=1S/C11H17N/c1-9-8-12-11-7-5-3-2-4-6-10(9)11/h2-8H2,1H3
InChIKeyXVAKKAZRWHLPQE-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.11
Rot. Bonds

About 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole

3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole (PubChem CID 20674236) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole.

Molecular Properties

Compound Name3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
PubChem CID20674236
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
SMILESCC1=C2CCCCCCC2=NC1
InChIInChI=1S/C11H17N/c1-9-8-12-11-7-5-3-2-4-6-10(9)11/h2-8H2,1H3
InChIKeyXVAKKAZRWHLPQE-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
4-butyl-3,5-dimethyl-2H-pyrrole
CID 58851243
ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 90760061
N,2,3-trimethylnon-2-en-4-imine
CID 123601158
N,7-diethyl-6-methylnon-6-en-2-imine
CID 130181614
N-methyl-1-(2-methylcyclopenten-1-yl)ethanimine
CID 130391044
5-methyl-4-undecyl-2H-pyrrole
CID 140967566
ethane;N-methyl-4-propan-2-ylideneheptan-3-imine
CID 142516257
3,5-dimethyl-4-(3-methylbutyl)-2H-pyrrole
CID 147576329
N-methyl-1-(2-methylcyclohexen-1-yl)ethanimine
CID 155073273
5-butyl-4-tert-butyl-3-methyl-2H-pyrrole
CID 161587297

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
The IUPAC name of 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole (CID 20674236) is 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole.
What is the SMILES notation for 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
The canonical SMILES for 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole is CC1=C2CCCCCCC2=NC1.
What is the InChIKey of 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
The InChIKey is XVAKKAZRWHLPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-8-12-11-7-5-3-2-4-6-10(9)11/h2-8H2,1H3.
What are the key properties of 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole is sourced from PubChem (CID 20674236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).