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

C11H17N — CID 123511024

IUPAC(3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
SMILESCC1CCCC/C=C2/CCN=C21
InChIInChI=1S/C11H17N/c1-9-5-3-2-4-6-10-7-8-12-11(9)10/h6,9H,2-5,7-8H2,1H3/b10-6-
InChIKeyKUPNPJKOQHNXHV-POHAHGRESA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds

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

(3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole (PubChem CID 123511024) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole.

Molecular Properties

Compound Name(3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
PubChem CID123511024
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
SMILESCC1CCCC/C=C2/CCN=C21
InChIInChI=1S/C11H17N/c1-9-5-3-2-4-6-10-7-8-12-11(9)10/h6,9H,2-5,7-8H2,1H3/b10-6-
InChIKeyKUPNPJKOQHNXHV-POHAHGRESA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6445873
Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(1R,5S)-3,6-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 14143771
5-Methyl-4-methylidene-3-(14-methylpentadecyl)-2,3-dihydropyrrole
CID 90906145
3-Hexadecyl-5-methyl-4-methylidene-2,3-dihydropyrrole
CID 91530706
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300

Frequently Asked Questions

What is the IUPAC name of (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
The IUPAC name of (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole (CID 123511024) is (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole.
What is the SMILES notation for (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
The canonical SMILES for (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole is CC1CCCC/C=C2/CCN=C21.
What is the InChIKey of (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
The InChIKey is KUPNPJKOQHNXHV-POHAHGRESA-N. The full InChI is InChI=1S/C11H17N/c1-9-5-3-2-4-6-10-7-8-12-11(9)10/h6,9H,2-5,7-8H2,1H3/b10-6-.
What are the key properties of (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole?
(3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aZ)-9-methyl-3,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole is sourced from PubChem (CID 123511024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).