(6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole

C10H13N — CID 122480372

IUPAC(6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
SMILESC1=C\CCc2c[nH]cc2CC/1
InChIInChI=1S/C10H13N/c1-2-4-6-10-8-11-7-9(10)5-3-1/h1-2,7-8,11H,3-6H2/b2-1-
InChIKeyFEHFKSSICFHLGI-UPHRSURJSA-N
MW147.22 g/mol
LogP2.45
Rot. Bonds

About (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole

(6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole (PubChem CID 122480372) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole.

Molecular Properties

Compound Name(6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
PubChem CID122480372
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
SMILESC1=C\CCc2c[nH]cc2CC/1
InChIInChI=1S/C10H13N/c1-2-4-6-10-8-11-7-9(10)5-3-1/h1-2,7-8,11H,3-6H2/b2-1-
InChIKeyFEHFKSSICFHLGI-UPHRSURJSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1H-pyrrole
CID 258383
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
3-phenyl-1H-pyrrole
CID 5324110
3,4-Diethylpyrrole
CID 10909563
3-ethyl-4-methyl-1H-pyrrole
CID 10877070
3-Methyl-4-phenylpyrrole
CID 15164561
3-tert-butyl-1H-pyrrole
CID 11029829
4,5,6,7-Tetrahydroisoindole
CID 11788296
3-n-Octylpyrrole
CID 14510078
3-isopropyl-1H-pyrrole
CID 13165124
4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571645
1H-Pyrrole, 3-propyl-
CID 137076

Frequently Asked Questions

What is the IUPAC name of (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
The IUPAC name of (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole (CID 122480372) is (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole.
What is the SMILES notation for (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
The canonical SMILES for (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole is C1=C\CCc2c[nH]cc2CC/1.
What is the InChIKey of (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
The InChIKey is FEHFKSSICFHLGI-UPHRSURJSA-N. The full InChI is InChI=1S/C10H13N/c1-2-4-6-10-8-11-7-9(10)5-3-1/h1-2,7-8,11H,3-6H2/b2-1-.
What are the key properties of (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
(6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole is sourced from PubChem (CID 122480372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).