1,2,3,4,6,8a-hexahydroquinoline

C9H13N — CID 22675870

IUPAC1,2,3,4,6,8a-hexahydroquinoline
SMILESC1=CC2NCCCC2=CC1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h2,4,6,9-10H,1,3,5,7H2
InChIKeyLXPCNMDJOBWTFD-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.62
Rot. Bonds

About 1,2,3,4,6,8a-hexahydroquinoline

1,2,3,4,6,8a-hexahydroquinoline (PubChem CID 22675870) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1,2,3,4,6,8a-hexahydroquinoline.

Molecular Properties

Compound Name1,2,3,4,6,8a-hexahydroquinoline
PubChem CID22675870
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1,2,3,4,6,8a-hexahydroquinoline
SMILESC1=CC2NCCCC2=CC1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h2,4,6,9-10H,1,3,5,7H2
InChIKeyLXPCNMDJOBWTFD-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,8a-hexahydroquinoline?
The IUPAC name of 1,2,3,4,6,8a-hexahydroquinoline (CID 22675870) is 1,2,3,4,6,8a-hexahydroquinoline.
What is the SMILES notation for 1,2,3,4,6,8a-hexahydroquinoline?
The canonical SMILES for 1,2,3,4,6,8a-hexahydroquinoline is C1=CC2NCCCC2=CC1.
What is the InChIKey of 1,2,3,4,6,8a-hexahydroquinoline?
The InChIKey is LXPCNMDJOBWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h2,4,6,9-10H,1,3,5,7H2.
What are the key properties of 1,2,3,4,6,8a-hexahydroquinoline?
1,2,3,4,6,8a-hexahydroquinoline has a molecular weight of 135.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8a-hexahydroquinoline is sourced from PubChem (CID 22675870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).