2,3,4,4a,5,6,7,8-octahydroquinoline

C9H15N — CID 10953579

IUPAC2,3,4,4a,5,6,7,8-octahydroquinoline
SMILESC1CCC2CCCN=C2C1
InChIInChI=1S/C9H15N/c1-2-6-9-8(4-1)5-3-7-10-9/h8H,1-7H2
InChIKeyCHNGBZJSFRNNKJ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.41
Rot. Bonds

About 2,3,4,4a,5,6,7,8-octahydroquinoline

2,3,4,4a,5,6,7,8-octahydroquinoline (PubChem CID 10953579) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8-octahydroquinoline.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8-octahydroquinoline
PubChem CID10953579
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,3,4,4a,5,6,7,8-octahydroquinoline
SMILESC1CCC2CCCN=C2C1
InChIInChI=1S/C9H15N/c1-2-6-9-8(4-1)5-3-7-10-9/h8H,1-7H2
InChIKeyCHNGBZJSFRNNKJ-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8-octahydroquinoline?
The IUPAC name of 2,3,4,4a,5,6,7,8-octahydroquinoline (CID 10953579) is 2,3,4,4a,5,6,7,8-octahydroquinoline.
What is the SMILES notation for 2,3,4,4a,5,6,7,8-octahydroquinoline?
The canonical SMILES for 2,3,4,4a,5,6,7,8-octahydroquinoline is C1CCC2CCCN=C2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,8-octahydroquinoline?
The InChIKey is CHNGBZJSFRNNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-6-9-8(4-1)5-3-7-10-9/h8H,1-7H2.
What are the key properties of 2,3,4,4a,5,6,7,8-octahydroquinoline?
2,3,4,4a,5,6,7,8-octahydroquinoline has a molecular weight of 137.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8-octahydroquinoline is sourced from PubChem (CID 10953579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).