(3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole

C11H15N — CID 123297069

IUPAC(3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole
SMILESCC1CC/C=C\C=C2\CCN=C21
InChIInChI=1S/C11H15N/c1-9-5-3-2-4-6-10-7-8-12-11(9)10/h2,4,6,9H,3,5,7-8H2,1H3/b4-2-,10-6-
InChIKeyLRYWVEVHCFQVOI-IMVLGZNNSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds

About (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole

(3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole (PubChem CID 123297069) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole.

Molecular Properties

Compound Name(3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole
PubChem CID123297069
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole
SMILESCC1CC/C=C\C=C2\CCN=C21
InChIInChI=1S/C11H15N/c1-9-5-3-2-4-6-10-7-8-12-11(9)10/h2,4,6,9H,3,5,7-8H2,1H3/b4-2-,10-6-
InChIKeyLRYWVEVHCFQVOI-IMVLGZNNSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Lanopylin A2
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(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
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5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
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Frequently Asked Questions

What is the IUPAC name of (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole?
The IUPAC name of (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole (CID 123297069) is (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole.
What is the SMILES notation for (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole?
The canonical SMILES for (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole is CC1CC/C=C\C=C2\CCN=C21.
What is the InChIKey of (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole?
The InChIKey is LRYWVEVHCFQVOI-IMVLGZNNSA-N. The full InChI is InChI=1S/C11H15N/c1-9-5-3-2-4-6-10-7-8-12-11(9)10/h2,4,6,9H,3,5,7-8H2,1H3/b4-2-,10-6-.
What are the key properties of (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole?
(3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aZ,5Z)-9-methyl-3,7,8,9-tetrahydro-2H-cycloocta[b]pyrrole is sourced from PubChem (CID 123297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).