1,2,3,4,4a,5-hexahydroquinoline

C9H13N — CID 23352063

IUPAC1,2,3,4,4a,5-hexahydroquinoline
SMILESC1=CCC2CCCNC2=C1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,6,8,10H,3-5,7H2
InChIKeyJCWLOGAMQQPDKR-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.83
Rot. Bonds

About 1,2,3,4,4a,5-hexahydroquinoline

1,2,3,4,4a,5-hexahydroquinoline (PubChem CID 23352063) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydroquinoline.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydroquinoline
PubChem CID23352063
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1,2,3,4,4a,5-hexahydroquinoline
SMILESC1=CCC2CCCNC2=C1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,6,8,10H,3-5,7H2
InChIKeyJCWLOGAMQQPDKR-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydroquinoline?
The IUPAC name of 1,2,3,4,4a,5-hexahydroquinoline (CID 23352063) is 1,2,3,4,4a,5-hexahydroquinoline.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydroquinoline?
The canonical SMILES for 1,2,3,4,4a,5-hexahydroquinoline is C1=CCC2CCCNC2=C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydroquinoline?
The InChIKey is JCWLOGAMQQPDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,6,8,10H,3-5,7H2.
What are the key properties of 1,2,3,4,4a,5-hexahydroquinoline?
1,2,3,4,4a,5-hexahydroquinoline has a molecular weight of 135.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydroquinoline is sourced from PubChem (CID 23352063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).